(2S)-2-amino-3-(2-chloro-4-hydroxyphenyl)propanoic acid

(2S)-2-amino-3-(2-chloro-4-hydroxyphenyl)propanoic acid

CAS: 70680-93-2

Formula: C9H10ClNO3

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

IUPAC: (2S)-2-amino-3-(2-chloro-4-hydroxyphenyl)propanoic acid

InChI: InChI=1S/C9H10ClNO3/c10-7-4-6(12)2-1-5(7)3-8(11)9(13)14/h1-2,4,8,12H,3,11H2,(H,13,14)/t8-/m0/s1

Composition: C (50.13%), H (4.67%), Cl (16.44%), N (6.50%), O (22.26%)

Molar Mass: 215.63

Atom Count: 24

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	215.0349209
Formal Charge	0
FSP3	0.22
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	3
InChIKey	QGFVUADZXXJSDI-QMMMGPOBSA-N
Lipinski's Rule of Five	1
Molar Refractivity	51.9
Topological Polar Surface Area	83.55
Polarizability	20.44
Ring Count	1
Rotatable Bond Count	3

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