AG00ICGV

740794-79-0 | (R)-3-Amino-3-(2-chloro-phenyl)-propionic acid

AG00ICGV

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CAS Number	740794-79-0
Catalog Number	AG00ICGV(AGN-PC-0U4BSM)
Chemical Name	(R)-3-Amino-3-(2-chloro-phenyl)-propionic acid
IUPAC Name	(3R)-3-amino-3-(2-chlorophenyl)propanoic acid
InChI	InChI=1S/C9H10ClNO2/c10-7-4-2-1-3-6(7)8(11)5-9(12)13/h1-4,8H,5,11H2,(H,12,13)/t8-/m1/s1
InChI Key	NXXFYRJVRISCCP-MRVPVSSYSA-N
MDL Number	MFCD04113642
Molecular Formula	C9H10ClNO2
Molecular Weight	199.6342
SMILES	O=C(O)C[C@@H](N)C1=CC=CC=C1Cl
Synonyms	740794-79-0, (r)-3-amino-3-(2-chlorophenyl)propanoic acid, (r)-3-amino-3-(2-chloro-phenyl)-propionic acid, (3r)-3-amino-3-(2-chlorophenyl)propanoic acid, (r)-3-(2-chlorophenyl)-beta-alanine, R-3-Amino-3-(2-chloro-phenyl)-propionic acid, AC1LELIP, h-d-beta-phe(2-cl)-oh, AC1Q3P7M, h-phg(2-cl)-(c*ch2)oh, SCHEMBL5720969, (R)--(2-Chlorophenyl)alanine, CTK7I5286, (R)- -(2-Chlorophenyl)alanine, (r)-beta-(2-chlorophenyl)alanine, ZINC169784, 1497AC, MFCD04113642, AKOS010394083, AB17716, CC-1189, AC-25366, AJ-17273, PS-12368, FT-0771835, ST24035449, TL80073791, (R)-beta-Amino-2-chlorobenzenepropionic acid, (r)-3-amino-3-(2-chlorophenyl)propionic acid, (R)-3-Amino-3-(2-chlorophenyl)-propionic acid, (r)-3-amino-3-(2-chloro-phenyl)-propanoic acid, Benzenepropanoic acid, b-amino-2-chloro-, (bR)-, benzenepropanoic acid, beta-amino-2-chloro-, (betar)-, C9H10ClNO2, ?beta-(2-Chlorophenyl)alanine, KST-1A7549, NSC45727, AR-1A4298, CID737973, ACN-026171, D-BETA-(2-CHLOROPHENYL)ALANINE, (R)- 3-amino-3-(2-chlorophenyl)-propionic acid, (R)-3-Amino-3-(2-chlorophenyl)propanoicacid, 68444-01-9,

Complexity	187
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	199.04g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	199.634g/mol
Monoisotopic Mass	199.04g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	63.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-1.3

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

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