AG01DU7K

1391384-65-8 | (S)-3-(1-Amino-2,2,2-trifluoroethyl)benzoic acid hydrochloride

AG01DU7K

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CAS Number	1391384-65-8
Catalog Number	AG01DU7K(AGN-PC-0WNGJ2)
Chemical Name	(S)-3-(1-Amino-2,2,2-trifluoroethyl)benzoic acid hydrochloride
IUPAC Name	3-[(1S)-1-amino-2,2,2-trifluoroethyl]benzoic acid;hydrochloride
InChI	InChI=1S/C9H8F3NO2.ClH/c10-9(11,12)7(13)5-2-1-3-6(4-5)8(14)15;/h1-4,7H,13H2,(H,14,15);1H/t7-;/m0./s1
InChI Key	PGVLYBVVIMPTQZ-FJXQXJEOSA-N
MDL Number	MFCD12757419
Molecular Formula	C9H9ClF3NO2
Molecular Weight	255.6215
SMILES	O=C(O)C1=CC=CC([C@H](N)C(F)(F)F)=C1.[H]Cl
Synonyms	1391384-65-8, (S)-3-(1-Amino-2,2,2-trifluoroethyl)benzoic acid hydrochloride, 3-((1S)-1-amino-2,2,2-trifluoroethyl)benzoic acid hcl, KS-00000U2S, MFCD12757419, AKOS030632937, GS-7365, KS-000026G5, (S)-3-(1-Amino-2,2,2-trifluoroethyl)benzoic acid HCl, 3-[(1S)-1-amino-2,2,2-trifluoroethyl]benzoic acid hydrochloride,

Complexity	242
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	255.027g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	255.621g/mol
Monoisotopic Mass	255.027g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	63.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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