AG00I565

2731-73-9 | Alanine, 3-chloro-

AG00I565

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CAS Number	2731-73-9
Catalog Number	AG00I565(AGN-PC-0O8HXE)
Chemical Name	Alanine, 3-chloro-
IUPAC Name	(2R)-2-amino-3-chloropropanoic acid
InChI	InChI=1S/C3H6ClNO2/c4-1-2(5)3(6)7/h2H,1,5H2,(H,6,7)/t2-/m0/s1
InChI Key	ASBJGPTTYPEMLP-REOHCLBHSA-N
MDL Number	MFCD00046536
Molecular Formula	C3H6ClNO2
Molecular Weight	123.5382
SMILES	N[C@H](C(=O)O)CCl
Synonyms	3-chloro-D-alanine, 3-chloroalanine, 3-chloroalanine hydrochloride, (D-Ala)-isomer, 3-chloroalanine hydrochloride, (DL-Ala)-isomer, 3-chloroalanine hydrochloride, (L-Ala)-isomer, 3-chloroalanine, (D-Ala)-isomer, 3-chloroalanine, (DL-Ala)-isomer, 3-chloroalanine, (L-Ala)-isomer, beta-chloro-D-alanine, beta-chloro-L-alanine, beta-chloroalanine, N-chloroalanine, 3-Chloro-L-alanine, 2731-73-9, (R)-2-Amino-3-chloropropanoic acid, Alanine, 3-chloro-, beta-Chloro-L-alanine, H--Chloro-Ala-OH, beta-Chloroalanine, H-Ala(Cl)-OH, (2R)-2-amino-3-chloropropanoic acid, CHEBI:17403, L-Alanine, 3-chloro-, (2R)-beta-Chloroalanine, Alanine, 3-chloro-, L-, sNxhMVHaI[jihl@, 3-chloro-l-ala, H-beta-Chloro-Ala-OH, Lopac0_000270, CHEMBL51989, SCHEMBL890418, AC1L980H, ASBJGPTTYPEMLP-REOHCLBHSA-, CTK0I1450, KS-00000ANP, ASBJGPTTYPEMLP-REOHCLBHSA-N, ZINC1529480, ANW-58200, CC-784, FCH920487, MFCD00046536, AKOS016842949, ACM3981360, CCG-204365, CS-7792, NCGC00162112-01, NCGC00162112-02, AC-22368, AJ-26604, AK-86997, AS-12232, SC-21241, (2R)-2-azanyl-3-chloranyl-propanoic acid, AB0011569, AX8019884, HY-107373, TC-146945, 3-Chloro-DL-alanine;beta-Chloro-DL-alanine, FT-0692131, FT-0694618, ST24035332, C02635, K-6961, 731C739, A819011, J-016730, 3-Chloro-L-alanine-15N, >=98 atom % 15N, >=99% (CP), InChI=1/C3H6ClNO2/c4-1-2(5)3(6)7/h2H,1,5H2,(H,6,7)/t2-/m0/s1, N-Chloroalanine, |A-Chloro-L-alanine, C3H6ClNO2, DL-Alanine, 3-chloro-, C3-H6-Cl-N-O2, beta-Chloro-L-alanine hydrochloride, CID439772, ACN-026365, 13215-35-5,

Complexity	75.3
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	123.009g/mol
Formal Charge	0
Heavy Atom Count	7
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	123.536g/mol
Monoisotopic Mass	123.009g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	63.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-2.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P280-P305+P351+P338-P310
UN Code

Certificate of Analysis

Lot Number