2-amino-3-(2,4-dichlorophenyl)propanoic acid

2-amino-3-(2,4-dichlorophenyl)propanoic acid

CAS: 5472-68-4

Formula: C9H9Cl2NO2

SMILES: NC(CC1=C(Cl)C=C(Cl)C=C1)C(O)=O

IUPAC: 2-amino-3-(2,4-dichlorophenyl)propanoic acid

InChI: InChI=1/C9H9Cl2NO2/c10-6-2-1-5(7(11)4-6)3-8(12)9(13)14/h1-2,4,8H,3,12H2,(H,13,14)

Composition: C (46.18%), H (3.88%), Cl (30.29%), N (5.98%), O (13.67%)

Molar Mass: 234.08

Atom Count: 23

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	233.0010339
Formal Charge	0
FSP3	0.22
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	GWHQTNKPTXDNRM-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	54.73
Topological Polar Surface Area	63.32
Polarizability	21.72
Ring Count	1
Rotatable Bond Count	3

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