AG0033W7

393-06-6 | 4-AMINO-2-TRIFLUOROMETHYLBENZOIC ACID

AG0033W7

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CAS Number	393-06-6
Catalog Number	AG0033W7(AGN-PC-0RJC11)
Chemical Name	4-AMINO-2-TRIFLUOROMETHYLBENZOIC ACID
IUPAC Name	4-amino-2-(trifluoromethyl)benzoic acid
InChI	InChI=1S/C8H6F3NO2/c9-8(10,11)6-3-4(12)1-2-5(6)7(13)14/h1-3H,12H2,(H,13,14)
InChI Key	AMVHEVZYTGHASE-UHFFFAOYSA-N
MDL Number	MFCD03407959
Molecular Formula	C8H6F3NO2
Molecular Weight	205.1339
SMILES	O=C(O)c1ccc(N)cc1C(F)(F)F
Synonyms	4-amino-2-(trifluoromethyl)benzoic Acid, 393-06-6, 4-Amino-2-trifluoromethylbenzoic acid, 5-Amino-2-carboxybenzotrifluoride, MFCD03407959, 2-(TRIFLUOROMETHYL)-4-AMINOBENZOIC ACID, PubChem1360, 4-Amimo-2-(trifluoromethyl)benzoicacid, AC1MYR9U, ACMC-209j4m, KSC495Q5D, SCHEMBL696299, RARECHEM AL BO 0438, CTK3J5851, KS-00000CKF, DTXSID80397107, AMVHEVZYTGHASE-UHFFFAOYSA-N, BUTTPARK 44\01-93, ACT00951, BCP16549, ZINC2513558, ANW-29060, BBL101548, FC1102, SBB052647, STL555344, AKOS005259848, 4-Amino-2-(trifluoromethyl)benzoicAcid, 4-amino-2-trifluoromethyl-benzoic acid, AC-3897, AM61530, AS01787, CA-1017, CM12444, CS-W003040, MCULE-2707960578, PS-8106, RP04518, RTR-015751, TF10317, TRA0063267, VZ35322, AJ-36855, AK-34991, AN-12522, BR-34991, EN000122, SC-04126, SY007268, 4-Amimo-2-(trifluoro methyl) benzoic acid, AB0006373, Benzoic acid,4-amino-2-(trifluoromethyl)-, DB-006631, ST2405518, TR-015751, Benzoic acid, 4-amino-2-(trifluoromethyl)-, FT-0081496, FT-0600192, ST50949550, X4308, Y-9362, MFCD03407959 (97+%), I01-4818, J-514309, Z1741969959, C8H6F3NO2, ACN-050276, CID3836325, 4-AMINO-2-TRIFLUOROMETHYLBENZOICACID, A1670,

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	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

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