AG003RV2

33965-47-8 | 4-Chloro-D-phenylalanine methyl ester, HCl

AG003RV2

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CAS Number	33965-47-8
Catalog Number	AG003RV2(AGN-PC-0O93CN)
Chemical Name	4-Chloro-D-phenylalanine methyl ester, HCl
IUPAC Name	methyl (2R)-2-amino-3-(4-chlorophenyl)propanoate;hydrochloride
InChI	InChI=1S/C10H12ClNO2.ClH/c1-14-10(13)9(12)6-7-2-4-8(11)5-3-7;/h2-5,9H,6,12H2,1H3;1H/t9-;/m1./s1
InChI Key	GCBCWTWQAFLKJG-SBSPUUFOSA-N
MDL Number	MFCD00236920
Molecular Formula	C10H13Cl2NO2
Molecular Weight	250.1217
SMILES	N[C@H](CC1=CC=C(Cl)C=C1)C(OC)=O.[H]Cl
UNII	K88EGN008P
Synonyms	33965-47-8, 4-Chloro-D-phenylalanine methyl ester hydrochloride, H-D-Phe(4-Cl)OMe.HCl, 4-Chloro-D-Phe-Ome HCl, UNII-K88EGN008P, H-p-Chloro-D-Phe-OMe HCl, K88EGN008P, MFCD00236920, D-Phenylalanine, 4-chloro-, methyl ester, hydrochloride, H-D-Phe(4-Cl)-OMe.HCl, (R)-2-Amino-3-(4-chloro-phenyl)-propionic acid methyl ester HCl;H-4-Chloro-D-Phe-OMe HCl, (R)-Methyl 2-amino-3-(4-chlorophenyl)propanoate hydrochloride, AK-49701, 4-Chloro-D-Phe-OMeCl, D-Methyl 4-chlorophenylalaninate hydrochloride, 4-Chloro-D-Phe-OMe*HCl, SCHEMBL1473550, CTK3J1808, KS-00000JAP, GCBCWTWQAFLKJG-SBSPUUFOSA-N, 4-Chloro-D-Phe-OMe hydrochloride, 4-Chloro-D-phenylalanine.OMe.HCl, AKOS015890376, RTR-014141, VZ35405, P-CHLORO-D-PHENYLALANINE-OME HCL, DS-15122, 4-Chloro-D-phenylalanine methyl ester, HCl, AX8020313, FT-0082988, FT-0651264, ST24035563, K-7791, M03167, 4-CHLORO-D-PHENYLALANINE METHYL ESTER HCL, 965C478, I01-6893, Methyl 4-chloro-D-phenylalaninate hydrochloride (1:1), UNII-OC0YKX1H41 component GCBCWTWQAFLKJG-SBSPUUFOSA-N, D-Phenylalanine, 4-chloro-, methyl ester, hydrochloride (1:1), Methyl 2-amino-3-(4-chlorophenyl)propanoate hydrochloride, (2t)-, (R)-2-amino-3-(4-chloro-phenyl)-propionic acid methyl ester hydrochloride, cc-592, 5-Chlorocarbonyl iminostilbene, IMINOSTILBENE CARBONYL CHLORIDE, H-D-Phe(4-Cl)-OMe.HCl - 5G 5g, 4-Chloro-D-phenylalaninemethylesterhydrochloride,

Complexity	191
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	249.032g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	250.119g/mol
Monoisotopic Mass	249.032g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	52.3A^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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