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Details

Stereochemistry ACHIRAL
Molecular Formula C8H4F3NO4
Molecular Weight 235.1169
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-NITRO-4-TRIFLUOROMETHYLBENZOIC ACID

SMILES

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

InChI

InChIKey=MYSAXQPTXWKDPQ-UHFFFAOYSA-N
InChI=1S/C8H4F3NO4/c9-8(10,11)4-1-2-5(7(13)14)6(3-4)12(15)16/h1-3H,(H,13,14)

HIDE SMILES / InChI

Approval Year

PubMed

PubMed

TitleDatePubMed
Identification of 2-[2-nitro-4-(trifluoromethyl)benzoyl]- cyclohexane-1,3-dione metabolites in urine of patients suffering from tyrosinemia type I with the use of 1H and 19F NMR spectroscopy.
2008
Patents
Name Type Language
2-NITRO-4-TRIFLUOROMETHYLBENZOIC ACID
Systematic Name English
NTFA
Common Name English
P-TOLUIC ACID, .ALPHA.,.ALPHA.,.ALPHA.-TRIFLUORO-2-NITRO-
Common Name English
4-(TRIFLUOROMETHYL)-2-NITROBENZOIC ACID
Systematic Name English
BENZOIC ACID, 2-NITRO-4-(TRIFLUOROMETHYL)-
Common Name English
.ALPHA.,.ALPHA.,.ALPHA.-TRIFLUORO-2-NITRO-P-TOLUIC ACID
Common Name English
2-NITRO-4-(TRIFLUOROMETHYL)BENZOIC ACID
Systematic Name English
Code System Code Type Description
PUBCHEM
642096
Created by admin on Sat Dec 16 10:00:31 GMT 2023 , Edited by admin on Sat Dec 16 10:00:31 GMT 2023
PRIMARY
FDA UNII
K9M35SV4P3
Created by admin on Sat Dec 16 10:00:31 GMT 2023 , Edited by admin on Sat Dec 16 10:00:31 GMT 2023
PRIMARY
EPA CompTox
DTXSID00348974
Created by admin on Sat Dec 16 10:00:31 GMT 2023 , Edited by admin on Sat Dec 16 10:00:31 GMT 2023
PRIMARY
CAS
320-94-5
Created by admin on Sat Dec 16 10:00:31 GMT 2023 , Edited by admin on Sat Dec 16 10:00:31 GMT 2023
PRIMARY