AG000NQK

125483-00-3 | Benzoic acid, 3-amino-4-(trifluoromethyl)-

AG000NQK

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CAS Number	125483-00-3
Catalog Number	AG000NQK(AGN-PC-0JU88T)
Chemical Name	Benzoic acid, 3-amino-4-(trifluoromethyl)-
IUPAC Name	3-amino-4-(trifluoromethyl)benzoic acid
InChI	InChI=1S/C8H6F3NO2/c9-8(10,11)5-2-1-4(7(13)14)3-6(5)12/h1-3H,12H2,(H,13,14)
InChI Key	RVYKHFGOJJKVNB-UHFFFAOYSA-N
MDL Number	MFCD07784307
Molecular Formula	C8H6F3NO2
Molecular Weight	205.1339
SMILES	NC1=C(C=CC(=C1)C(O)=O)C(F)(F)F
Synonyms	3-amino-4-(trifluoromethyl)benzoic acid, 125483-00-3, 3-Amino-4-trifluoromethylbenzoic acid, 4857-33-4, 3-Amino-4-(trifluoromethyl)benzoicacid, AK-26017, benzoic acid, 3-amino-4-(trifluoromethyl)-, PubChem4986, AC1LD5HP, KSC235K6N, SCHEMBL403027, Benzoic acid, 3-amino-4-(trifluoromethyl)- (9CI), CTK1D5566, RVYKHFGOJJKVNB-UHFFFAOYSA-N, ACT11925, KS-00000CZ1, ZINC8698430, ZX-AP001914, ANW-56279, CA-763, CL8064, MFCD07784307, PC9194, SBB052700, AKOS015854611, AC-3895, AM82971, AN-6239, AS00950, AS02477, CS-W018904, FCH1326992, MCULE-2403575500, RP26145, RTR-003820, TRA0087586, VZ26304, VZ34988, AJ-58072, SC-52849, SY031461, TS-02914, AB0030585, AX8020988, Benzoic acid,3-amino-4-(trifluoromethyl)-, DB-015988, TR-003820, 4CH-010183, BB 0261331, FT-0645772, FT-0649398, ST24028380, ST50949563, X2790, 3-Amino-4-(trifluoromethyl)benzoic acid 98%, MFCD07784307 (97%), A19957, M-4832, 2-amino-alpha,alpha,alpha-trifluoro-p-toluic acid, I01-4592, J-511598, 3-Amino-4-(trifluoromethyl)benzoic acid, AldrichCPR, InChI=1/C8H6F3NO2/c9-8(10,11)5-2-1-4(7(13)14)3-6(5)12/h1-3H,12H2,(H,13,14, C8H6F3NO2, 3-AMINO-4- BENZOICACID, CID642651, 3-amino-4-trifluoromethyl-benzoic acid, ACN-050272,

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