U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C7H5ClO2
Molecular Weight 156.566
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of P-CHLOROBENZOIC ACID

SMILES

OC(=O)C1=CC=C(Cl)C=C1

InChI

InChIKey=XRHGYUZYPHTUJZ-UHFFFAOYSA-N
InChI=1S/C7H5ClO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,(H,9,10)

HIDE SMILES / InChI
Molecular Formula C7H5ClO2
Molecular Weight 156.566
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Unknown
86413
Substance Class Chemical
Created
by admin
on Fri Dec 15 17:13:17 UTC 2023
Edited
by admin
on Fri Dec 15 17:13:17 UTC 2023
Record UNII
IC7888DF4L
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
P-CHLOROBENZOIC ACID
HSDB   MI   WHO-DD  
Common Name English
P-chlorobenzoic acid [WHO-DD]
Common Name English
P-CHLOROBENZOIC ACID [HSDB]
Common Name English
INDOMETHACIN RELATED COMPOUND B [USP-RS]
Common Name English
BENZOIC ACID, P-CHLORO-
Common Name English
CHLOROBENZOIC ACID, P-
Common Name English
INDOMETACIN IMPURITY A [EP IMPURITY]
Common Name English
NSC-32738
Code English
ACEMETACIN IMPURITY A [EP IMPURITY]
Common Name English
CHLORODRACYLIC ACID
Common Name English
BENZOIC ACID, 4-CHLORO-
Systematic Name English
4-CHLOROBENZOIC ACID
Systematic Name English
P-CHLOROBENZOIC ACID [MI]
Common Name English
Code System Code Type Description
CHEBI
30747
Created by admin on Fri Dec 15 17:13:17 UTC 2023 , Edited by admin on Fri Dec 15 17:13:17 UTC 2023
PRIMARY
DRUG BANK
DB03728
Created by admin on Fri Dec 15 17:13:17 UTC 2023 , Edited by admin on Fri Dec 15 17:13:17 UTC 2023
PRIMARY
WIKIPEDIA
4-Chlorobenzoic acid
Created by admin on Fri Dec 15 17:13:17 UTC 2023 , Edited by admin on Fri Dec 15 17:13:17 UTC 2023
PRIMARY
HSDB
6019
Created by admin on Fri Dec 15 17:13:17 UTC 2023 , Edited by admin on Fri Dec 15 17:13:17 UTC 2023
PRIMARY
MESH
C040768
Created by admin on Fri Dec 15 17:13:17 UTC 2023 , Edited by admin on Fri Dec 15 17:13:17 UTC 2023
PRIMARY
FDA UNII
IC7888DF4L
Created by admin on Fri Dec 15 17:13:17 UTC 2023 , Edited by admin on Fri Dec 15 17:13:17 UTC 2023
PRIMARY
CAS
74-11-3
Created by admin on Fri Dec 15 17:13:17 UTC 2023 , Edited by admin on Fri Dec 15 17:13:17 UTC 2023
PRIMARY
RS_ITEM_NUM
1112423
Created by admin on Fri Dec 15 17:13:17 UTC 2023 , Edited by admin on Fri Dec 15 17:13:17 UTC 2023
PRIMARY
MERCK INDEX
m3396
Created by admin on Fri Dec 15 17:13:17 UTC 2023 , Edited by admin on Fri Dec 15 17:13:17 UTC 2023
PRIMARY Merck Index
EPA CompTox
DTXSID9024772
Created by admin on Fri Dec 15 17:13:17 UTC 2023 , Edited by admin on Fri Dec 15 17:13:17 UTC 2023
PRIMARY
PUBCHEM
6318
Created by admin on Fri Dec 15 17:13:17 UTC 2023 , Edited by admin on Fri Dec 15 17:13:17 UTC 2023
PRIMARY
NSC
32738
Created by admin on Fri Dec 15 17:13:17 UTC 2023 , Edited by admin on Fri Dec 15 17:13:17 UTC 2023
PRIMARY
ECHA (EC/EINECS)
200-805-9
Created by admin on Fri Dec 15 17:13:17 UTC 2023 , Edited by admin on Fri Dec 15 17:13:17 UTC 2023
PRIMARY
Related Record Type Details
Structure of SODIUM P-CHLOROBENZOATE
SALT/SOLVATE -> PARENT
Related Record Type Details
Structure of INDOMETHACIN SODIUM
PARENT -> IMPURITY
The sum of the percentages of indomethacin related compound A and indomethacin related compound B is NMT 0.2%.
CHROMATOGRAPHIC PURITY (HPLC/UV)
USP
Structure of INDOMETHACIN
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
USP
Structure of ACEMETACIN
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
NIH
NCATS
PRIVACY ACT
ACCESSIBILITY
DISCLAIMER
HHS VULNERABILITY DISCLOSURE
For language access assistance, contact the NCATS Public Information Officer
National Center for Advancing Translational Sciences (NCATS),
6701 Democracy Boulevard, Bethesda MD 20892-4874 • 301-594-8966