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

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

CAS: 117391-56-7

Formula: C9H9Cl2NO2

SMILES: NC(CC(O)=O)C1=CC=CC(Cl)=C1Cl

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

InChI: InChI=1/C9H9Cl2NO2/c10-6-3-1-2-5(9(6)11)7(12)4-8(13)14/h1-3,7H,4,12H2,(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	GQKLESLYMHWBOP-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	54.6
Topological Polar Surface Area	63.32
Polarizability	21.74
Ring Count	1
Rotatable Bond Count	3

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