AG003GE9

402-13-1 | 2-AMINO-4-(TRIFLUOROMETHYL)BENZOIC ACID

AG003GE9

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CAS Number	402-13-1
Catalog Number	AG003GE9(AGN-PC-0JL83M)
Chemical Name	2-AMINO-4-(TRIFLUOROMETHYL)BENZOIC ACID
EC Number	206-937-3
IUPAC Name	2-amino-4-(trifluoromethyl)benzoic acid
InChI	InChI=1S/C8H6F3NO2/c9-8(10,11)4-1-2-5(7(13)14)6(12)3-4/h1-3H,12H2,(H,13,14)
InChI Key	NQTLZJODEOHALT-UHFFFAOYSA-N
MDL Number	MFCD00519334
Molecular Formula	C8H6F3NO2
Molecular Weight	205.1339
SMILES	NC1=C(C(=O)O)C=CC(=C1)C(F)(F)F
Synonyms	2-amino-4-(trifluoromethyl)benzoic acid, 402-13-1, 2-amino-4-trifluoromethylbenzoic acid, 4-(Trifluoromethyl)anthranilic acid, 4-trifluoromethylanthranilic acid, 2-amino-4-trifluoromethyl-benzoic acid, benzoic acid, 2-amino-4-(trifluoromethyl)-, EINECS 206-937-3, PubChem1358, 2-Amino-4-(trifluoromethyl)benzoicacid, ACMC-209jby, AC1Q5TYW, AC1L28IH, CBDivE_012459, KSC505Q1F, MLS000100401, SCHEMBL955863, PHARMABRIDGE P-1350, IFLab1_000253, Ethanethiol,2-(dimethylamino)-, CHEMBL1501276, CTK4A5812, DTXSID30193191, 4-trifluoromethyl anthranilic acid, 4-trifluoromethyl-anthranilic acid, BUTTPARK 24\07-91, NQTLZJODEOHALT-UHFFFAOYSA-N, HMS1412L11, ZINC288832, ACT11924, ANW-29324, CA-762, CK1069, MFCD00519334, SBB064424, STL483066, AKOS001013585, AC-3894, AM83233, AN-6225, AS00753, CM12440, CS-W007507, LS10530, MCULE-4521656050, PS-8110, TRA0174562, VZ23607, IDI1_008472, KS-000010E4, 2-amino-4-(trifluoromethyl)-benzoic acid, AJ-18910, AK-24765, SMR000017327, AB0031286, Benzoic acid,2-amino-4-(trifluoromethyl)-, DB-020403, ST2416376, TR-033229, 4CH-014585, A6727, FT-0611077, ST50495766, X4306, W-2672, AB00075927-01, I01-4827, W-106378, 2-Amino-4-(trifluoromethyl)benzoic acid, AldrichCPR, InChI=1/C8H6F3NO2/c9-8(10,11)4-1-2-5(7(13)14)6(12)3-4/h1-3H,12H2,(H,13,14, C8H6F3NO2, C8-H6-F3-N-O2, CID67869, AR-1G4827, 2-amino-4-trifluoromethyl benzoic acid, ACN-046834, A112, A2175, 2-AMINO-4-(TRIFLUOROMETHOXY)BENZOIC ACID, 2-Amino-4-(trifluoromethyl)benzoic acid, 98% - 25G 25g, 108-02-1, 4241-21-8,

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	2.3

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