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

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

CAS: 919016-51-6

Formula: C12H11Cl2NO3

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

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

InChI: InChI=1/C12H11Cl2NO3/c13-9-2-1-7(3-10(9)14)5-15-6-8(12(17)18)4-11(15)16/h1-3,8H,4-6H2,(H,17,18)

Composition: C (50.02%), H (3.85%), Cl (24.61%), N (4.86%), O (16.66%)

Molar Mass: 288.12

Atom Count: 29

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	287.0115986
Formal Charge	0
FSP3	0.33
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	QIQQYWCDOVFAOA-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	67.46
Topological Polar Surface Area	57.61
Polarizability	26.28
Ring Count	2
Rotatable Bond Count	3

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