1-[(4-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxylic acid

1-[(4-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxylic acid

CAS: 96449-92-2

Formula: C12H12ClNO3

SMILES: OC(=O)C1CN(CC2=CC=C(Cl)C=C2)C(=O)C1

IUPAC: 1-[(4-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxylic acid

InChI: InChI=1/C12H12ClNO3/c13-10-3-1-8(2-4-10)6-14-7-9(12(16)17)5-11(14)15/h1-4,9H,5-7H2,(H,16,17)

Composition: C (56.82%), H (4.77%), Cl (13.97%), N (5.52%), O (18.92%)

Molar Mass: 253.68

Atom Count: 29

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	253.050571
Formal Charge	0
FSP3	0.33
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	TUZRKETZXNMRCF-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	62.66
Topological Polar Surface Area	57.61
Polarizability	24.31
Ring Count	2
Rotatable Bond Count	3

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