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Details

Stereochemistry ACHIRAL
Molecular Formula C13H19Cl
Molecular Weight 210.743
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-TERT-BUTYL-4-(CHLOROMETHYL)-3,5-DIMETHYLBENZENE

SMILES

CC1=CC(=CC(C)=C1CCl)C(C)(C)C

InChI

InChIKey=SELSXVIZHNFFRV-UHFFFAOYSA-N
InChI=1S/C13H19Cl/c1-9-6-11(13(3,4)5)7-10(2)12(9)8-14/h6-7H,8H2,1-5H3

HIDE SMILES / InChI

Molecular Formula C13H19Cl
Molecular Weight 210.743
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 11:49:36 UTC 2023
Edited
by admin
on Sat Dec 16 11:49:36 UTC 2023
Record UNII
9FST1VVT81
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1-TERT-BUTYL-4-(CHLOROMETHYL)-3,5-DIMETHYLBENZENE
Systematic Name English
2-(CHLOROMETHYL)-5-(1,1-DIMETHYLETHYL)-1,3-DIMETHYLBENZENE
Systematic Name English
BENZENE, 2-(CHLOROMETHYL)-5-(1,1-DIMETHYLETHYL)-1,3-DIMETHYL-
Systematic Name English
XYLOMETAZOLINE HYDROCHLORIDE IMPURITY B [EP IMPURITY]
Common Name English
Code System Code Type Description
ECHA (EC/EINECS)
243-013-9
Created by admin on Sat Dec 16 11:49:36 UTC 2023 , Edited by admin on Sat Dec 16 11:49:36 UTC 2023
PRIMARY
FDA UNII
9FST1VVT81
Created by admin on Sat Dec 16 11:49:36 UTC 2023 , Edited by admin on Sat Dec 16 11:49:36 UTC 2023
PRIMARY
EPA CompTox
DTXSID2066482
Created by admin on Sat Dec 16 11:49:36 UTC 2023 , Edited by admin on Sat Dec 16 11:49:36 UTC 2023
PRIMARY
CAS
19387-83-8
Created by admin on Sat Dec 16 11:49:36 UTC 2023 , Edited by admin on Sat Dec 16 11:49:36 UTC 2023
PRIMARY
PUBCHEM
88034
Created by admin on Sat Dec 16 11:49:36 UTC 2023 , Edited by admin on Sat Dec 16 11:49:36 UTC 2023
PRIMARY
Related Record Type Details
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EP