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Details

Stereochemistry ACHIRAL
Molecular Formula C7H3F3NO3.Na
Molecular Weight 229.0886
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-TRIFLUOROMETHYL-4-NITROPHENOL SODIUM

SMILES

[Na+].[O-]C1=CC(=C(C=C1)[N+]([O-])=O)C(F)(F)F

InChI

InChIKey=GZMCWLUYRYIQGJ-UHFFFAOYSA-M
InChI=1S/C7H4F3NO3.Na/c8-7(9,10)5-3-4(12)1-2-6(5)11(13)14;/h1-3,12H;/q;+1/p-1

HIDE SMILES / InChI

Molecular Formula Na
Molecular Weight 22.9898
Charge 1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C7H3F3NO3
Molecular Weight 206.0988
Charge -1
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 08:51:49 UTC 2023
Edited
by admin
on Sat Dec 16 08:51:49 UTC 2023
Record UNII
9Y19Q53X5H
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-TRIFLUOROMETHYL-4-NITROPHENOL SODIUM
Systematic Name English
PHENOL, 4-NITRO-3-(TRIFLUOROMETHYL)-, SODIUM SALT (1:1)
Systematic Name English
4-NITRO-3-(TRIFLUOROMETHYL)PHENOL SODIUM SALT
Systematic Name English
Classification Tree Code System Code
EPA PESTICIDE CODE 36200
Created by admin on Sat Dec 16 08:51:49 UTC 2023 , Edited by admin on Sat Dec 16 08:51:49 UTC 2023
Code System Code Type Description
PUBCHEM
12601
Created by admin on Sat Dec 16 08:51:49 UTC 2023 , Edited by admin on Sat Dec 16 08:51:49 UTC 2023
PRIMARY
FDA UNII
9Y19Q53X5H
Created by admin on Sat Dec 16 08:51:49 UTC 2023 , Edited by admin on Sat Dec 16 08:51:49 UTC 2023
PRIMARY
CAS
654-66-0
Created by admin on Sat Dec 16 08:51:49 UTC 2023 , Edited by admin on Sat Dec 16 08:51:49 UTC 2023
PRIMARY
EPA CompTox
DTXSID0074978
Created by admin on Sat Dec 16 08:51:49 UTC 2023 , Edited by admin on Sat Dec 16 08:51:49 UTC 2023
PRIMARY