AG0020UN

175278-22-5 | Benzoic acid, 4-amino-3-(trifluoromethoxy)-

AG0020UN

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CAS Number	175278-22-5
Catalog Number	AG0020UN(AGN-PC-0KK7GT)
Chemical Name	Benzoic acid, 4-amino-3-(trifluoromethoxy)-
IUPAC Name	4-amino-3-(trifluoromethoxy)benzoic acid
InChI	InChI=1S/C8H6F3NO3/c9-8(10,11)15-6-3-4(7(13)14)1-2-5(6)12/h1-3H,12H2,(H,13,14)
InChI Key	IXJFWBNYFTWBOR-UHFFFAOYSA-N
MDL Number	MFCD00205143
Molecular Formula	C8H6F3NO3
Molecular Weight	221.1333
SMILES	NC1=C(C=C(C(=O)O)C=C1)OC(F)(F)F
Synonyms	4-amino-3-(trifluoromethoxy)benzoic Acid, 175278-22-5, 4-amino-3-trifluoromethoxybenzoic acid, 4-Amino-3-trifluoromethoxy benzoic acid, RARECHEM AL BO 0798, Benzoic acid, 4-amino-3-(trifluoromethoxy)-, BUTTPARK 83\07-32, MFCD00205143, 4-amino-3-trifluoromethoxy-benzoic acid, 4-Amine-3-(trifluoromethoxy)Benzoic acid, 4-Amino-3-trifluoromethoxybenzoicacid, PubChem14042, AC1MC4HD, ACMC-209e9s, KSC496K4F, SCHEMBL417462, PARAGOS 530294, CTK3J6542, KS-00000FGM, DTXSID00371040, IXJFWBNYFTWBOR-UHFFFAOYSA-N, WT105, ZINC167293, ACT00954, ANW-22766, CA-723, CL8103, FC1104, SBB052829, 4-Carboxy-2-(trifluoromethoxy)aniline, AKOS005257322, AN-9559, AS00754, CS-W014741, LF10314, MCULE-6894115449, PS-7852, RP27313, RTR-007959, TRA0047823, VZ28225, 3-(trifluoromethoxy)-4-aminobenzoicacid, AJ-16644, AK-25504, BR-25504, SC-78177, TL806419, 4-amino-3-(trifluoromethyoxy)benzoic acid, 4-amino-3-(trifluoromethoxy)benzoicacid97%, AB0018143, DB-006632, TR-007959, A3892, AM20060090, FT-0081498, FT-0602652, ST24028874, ST50949589, 4-amino-3-(trifluoromethoxy)benzoic acid 97%, M-1950, 4-amino-3-(trifluoromethoxy)benzoic acid, 95+%, 278A225, I01-0189, J-514343, 4-amino-3-(trifluoromethoxy)benzoic acid, AldrichCPR, 175278-22-5 4-amino-3-(trifluoromethoxy)benzoic acid, C8H6F3NO3, 2-Bromo-4-(trifluoromethoxy)aniline, ACN-056270, CID2735951, 3-(Trifluoromethoxy)-4-aminobenzoic acid, R406,

Complexity	244
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	221.03g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	221.135g/mol
Monoisotopic Mass	221.03g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	72.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H315-H319-H335
Packing Group	Ⅲ
Precautionary statements	P261-P305+P351+P338
UN Code	UN 2811

Certificate of Analysis

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