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methyl (2R)-2-amino-3-(4-chlorophenyl)propanoate hydrochloride

methyl (2R)-2-amino-3-(4-chlorophenyl)propanoate hydrochloride

CAS: 33965-47-8

Formula: C10H13Cl2NO2

SMILES: Cl.COC(=O)[C@H](N)CC1=CC=C(Cl)C=C1

IUPAC: 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

Composition: C (48.02%), H (5.24%), Cl (28.35%), N (5.60%), O (12.79%)

Molar Mass: 250.12

Atom Count: 28

Heavy Atom Count: 15

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 249.0323341
Formal Charge 0
FSP3 0.3
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey GCBCWTWQAFLKJG-SBSPUUFOSA-N
Lipinski's Rule of Five 1
Molar Refractivity 54.69
Topological Polar Surface Area 52.32
Polarizability 21.86
Ring Count 1
Rotatable Bond Count 4

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