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3-chloro-L-alanine hydrochloride

3-chloro-L-alanine hydrochloride

CAS: 51887-89-9

Formula: C3H7Cl2NO2

SMILES: Cl[H].N[C@@H](CCl)C(O)=O

IUPAC: (2R)-2-amino-3-chloropropanoic acid hydrochloride

InChI: InChI=1S/C3H6ClNO2.ClH/c4-1-2(5)3(6)7;/h2H,1,5H2,(H,6,7);1H/t2-;/m0./s1

Composition: C (22.52%), H (4.41%), Cl (44.31%), N (8.75%), O (20.00%)

Molar Mass: 159.99

Atom Count: 15

Heavy Atom Count: 8

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 1
Exact Mass 158.9853839
Formal Charge 0
FSP3 0.67
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey IENJPSDBNBGIEL-DKWTVANSSA-N
Lipinski's Rule of Five 1
Molar Refractivity 25.09
Topological Polar Surface Area 63.32
Polarizability 10.29
Ring Count 0
Rotatable Bond Count 2

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