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Details

Stereochemistry ACHIRAL
Molecular Formula C9H6F3NO4
Molecular Weight 249.1434
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-Nitro-4-(trifluoromethyl)phenylacetic acid

SMILES

OC(=O)CC1=C(C=C(C=C1)C(F)(F)F)[N+]([O-])=O

InChI

InChIKey=DUDZAZPWJFTDPV-UHFFFAOYSA-N
InChI=1S/C9H6F3NO4/c10-9(11,12)6-2-1-5(3-8(14)15)7(4-6)13(16)17/h1-2,4H,3H2,(H,14,15)

HIDE SMILES / InChI

Molecular Formula C9H6F3NO4
Molecular Weight 249.1434
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 12:27:24 GMT 2023
Edited
by admin
on Sat Dec 16 12:27:24 GMT 2023
Record UNII
5QSS9QY8AU
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-Nitro-4-(trifluoromethyl)phenylacetic acid
Systematic Name English
2-Nitro-4-(trifluoromethyl)benzeneacetic acid
Systematic Name English
Acetic acid, (α,α,α-trifluoro-2-nitro-p-tolyl)-
Systematic Name English
Benzeneacetic acid, 2-nitro-4-(trifluoromethyl)-
Systematic Name English
(2-Nitro-4-trifluorobenzyl)acetic acid
Common Name English
Code System Code Type Description
CAS
1735-91-7
Created by admin on Sat Dec 16 12:27:24 GMT 2023 , Edited by admin on Sat Dec 16 12:27:24 GMT 2023
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EPA CompTox
DTXSID80169629
Created by admin on Sat Dec 16 12:27:24 GMT 2023 , Edited by admin on Sat Dec 16 12:27:24 GMT 2023
PRIMARY
PUBCHEM
74433
Created by admin on Sat Dec 16 12:27:24 GMT 2023 , Edited by admin on Sat Dec 16 12:27:24 GMT 2023
PRIMARY
ECHA (EC/EINECS)
217-081-5
Created by admin on Sat Dec 16 12:27:24 GMT 2023 , Edited by admin on Sat Dec 16 12:27:24 GMT 2023
PRIMARY
FDA UNII
5QSS9QY8AU
Created by admin on Sat Dec 16 12:27:24 GMT 2023 , Edited by admin on Sat Dec 16 12:27:24 GMT 2023
PRIMARY