2-(2-chloroacetamido)-3-phenylpropanoic acid

2-(2-chloroacetamido)-3-phenylpropanoic acid

CAS: 7765-11-9

Formula: C11H12ClNO3

SMILES: OC(=O)C(CC1=CC=CC=C1)NC(=O)CCl

IUPAC: 2-(2-chloroacetamido)-3-phenylpropanoic acid

InChI: InChI=1/C11H12ClNO3/c12-7-10(14)13-9(11(15)16)6-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,13,14)(H,15,16)

Composition: C (54.67%), H (5.01%), Cl (14.67%), N (5.80%), O (19.86%)

Molar Mass: 241.67

Atom Count: 28

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	241.050571
Formal Charge	0
FSP3	0.27
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	FUHGSOAURCZWCC-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	59.31
Topological Polar Surface Area	66.4
Polarizability	23.15
Ring Count	1
Rotatable Bond Count	5

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