AG001D0F

14091-08-8 | D-Phenylalanine, 4-chloro-

AG001D0F

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CAS Number	14091-08-8
Catalog Number	AG001D0F(AGN-PC-0O2310)
Chemical Name	D-Phenylalanine, 4-chloro-
IUPAC Name	(2R)-2-amino-3-(4-chlorophenyl)propanoic acid
InChI	InChI=1S/C9H10ClNO2/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4,8H,5,11H2,(H,12,13)/t8-/m1/s1
InChI Key	NIGWMJHCCYYCSF-MRVPVSSYSA-N
MDL Number	MFCD00079675
Molecular Formula	C9H10ClNO2
Molecular Weight	199.6342
SMILES	N[C@H](CC1=CC=C(Cl)C=C1)C(O)=O
UNII	RSS1JQ7MES
Synonyms	4-Chloro-D-phenylalanine, 14091-08-8, D-4-Chlorophenylalanine, D-Phenylalanine, 4-chloro-, (R)-2-AMINO-3-(4-CHLOROPHENYL)PROPANOIC ACID, (2R)-2-amino-3-(4-chlorophenyl)propanoic acid, d-p-chlorophenylalanine, UNII-RSS1JQ7MES, RSS1JQ7MES, D-4-CHLOROPHE, H-D-PHE(4-CL)-OH, NIGWMJHCCYYCSF-MRVPVSSYSA-N, MFCD00079675, Fenclonine, (R)-, (R)-4-Chlorophenylalanine Hydrochloride Salt, 4-CHLORO-PHE-OH, Alanine, 3-(p-chlorophenyl)-, D-, (R)-4-ChlorophenylalanineHydrochloride, Tocris-0938, AC1LDI2L, D-4-Chloro phenylalanine, Lopac-C-6506, H-(D)Phe(4-Cl), D-PHE(4-CL)-OH, ZINC290, SCHEMBL245828, H-D-Phe(4-Cl)-OH.HCl, AMGLY00115, P-CHLORO-D-PHENYLALANINE, CHEMBL1355710, KS-00000AN8, ANW-50227, AB03058, AC-5845, ACN-026518, AM82750, CS-W013201, FS-2457, GS-0034, NCGC00015255-01, NCGC00015255-02, NCGC00024889-01, AC-25559, AJ-07875, AN-17262, SC-10558, AB0012805, DB-042539, TC-138972, TL8000913, FT-0618213, ST24026410, (R)-2-Amino-3-(4-chlorophenyl)propionic acid, A16424, M-7757, (2R)-2-amino-3-(4-chlorophenyl)propionic acid, (2R)-2-azanyl-3-(4-chlorophenyl)propanoic acid, 091C088, J-300387, 2-Amino-3-(4-chloro-phenyl)-propionic acid; hydrochloride, UNII-R5J7E3L9SP component NIGWMJHCCYYCSF-MRVPVSSYSA-N, (R)-2-Amino-3-(4-chlorophenyl)propionic Acid Hydrochloride, Fenclonine, p-chlorophenylalanine, (r)-beta-4-chlorophenylalanine, C9H10ClNO2, cc-535, CID667429, 4-Chloro-D-phenylalanine Hydrochloride, CB11721, H-D-Phe(4-Cl)-OH.HCl - 25G 25g, A3212, B5036, C2016, 147065-05-2, (r)-3-amino-3-(4-chlorophenyl)propanoic acid, C-5270, 131690-61-4, 7424-00-2, 14173-39-8,

Complexity	179
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	-0.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H301-H317
Packing Group	Ⅲ
Precautionary statements	P261-P280g-P301+P310a-P321-P405-P501a-P280-P301+P310
UN Code	UN 2811

Certificate of Analysis

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