AG00C590

400-76-0 | 4-Amino-3-(Trifluoromethyl)Benzoic Acid 3-Trifluoromethyl-4-Aminobenzoic Acid

AG00C590

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CAS Number	400-76-0
Catalog Number	AG00C590(AGN-PC-0KR8ZT)
Chemical Name	4-Amino-3-(Trifluoromethyl)Benzoic Acid 3-Trifluoromethyl-4-Aminobenzoic Acid
IUPAC Name	4-amino-3-(trifluoromethyl)benzoic acid
InChI	InChI=1S/C8H6F3NO2/c9-8(10,11)5-3-4(7(13)14)1-2-6(5)12/h1-3H,12H2,(H,13,14)
InChI Key	NPPPORJZPNJXNQ-UHFFFAOYSA-N
MDL Number	MFCD03407960
Molecular Formula	C8H6F3NO2
Molecular Weight	205.1339
SMILES	O=C(O)C1=CC=C(N)C(C(F)(F)F)=C1
Synonyms	4-amino-3-(trifluoromethyl)benzoic acid, 400-76-0, 4-Amino-3-trifluoromethylbenzoic acid, 4-Amino-3-trifluoromethylbenzioc acid, 4-Amino-3-trifluoromethyl benzoic acid, RARECHEM AL BO 0877, MFCD03407960, 4-amino-5-trifluoromethylbenzoic acid, 4-Amino-3-trifluoromethyl-benzoic acid, Benzoic acid, 4-amino-3-(trifluoromethyl)-, 4-Amino-3-(Trifluoromethyl)Benzoic Acid 3-Trifluoromethyl-4-Aminobenzoic Acid, AN-584/43408343, 4-amino-3-trifluoromethylbenzoicacid, PubChem2211, AC1MM2E9, KSC495Q5P, SCHEMBL498590, RARECHEM AL BO 1298, CTK3J5857, TIMTEC-BB SBB008581, DTXSID90390689, BUTTPARK 44\09-94, NPPPORJZPNJXNQ-UHFFFAOYSA-N, WT037, ACT00953, KS-000010DS, ZINC2513559, ZX-AP012366, ANW-46901, CL8104, DT1647, FC1105, PC1207, SBB064421, AKOS005255278, AC-3898, AM84004, AN-1577, AS00736, AS01788, AS02475, CA-1018, CM12446, FCH1334879, GS-3525, RP26146, RTR-015994, VZ28227, 4-amino-3-(trifluoromethyl) benzoic acid, AJ-36856, AK-27170, BC211055, CC-17753, CC-17810, SC-04242, AB0006394, AX8005955, Benzoic acid,4-amino-3-(trifluoromethyl)-, DB-069937, ST2405528, TL8002897, TR-015994, 3-TRIFLUOROMETHYL-4-AMINOBENZOIC ACID, FT-0602439, X2791, Q-9303, C-10116, 400-76-0 4-amino-3-(trifluoromethyl)benzoic acid, I01-4362, I01-4823, J-514344, C8H6F3NO2, 2-Chloro-4-aminobenzoic acid, 3-Trifluoromethyl-4-AminoBenzoicAcid, 4-AMINO-2-CHLOROBENZOIC ACID, ACN-050265, CID3254286, A11579, 4-Amino-3- BenzoicAcid3-Trifluoromethyl-4-AminobenzoicAcid, 2457-76-3,

Complexity	229
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	205.035g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	205.136g/mol
Monoisotopic Mass	205.035g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	63.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number