Name: Name:1-(4-Chlorobenzyl)-5-oxopyrrolidine-3-carboxylic acid
Brand: Angene
SKU: AG005TZ8
Rating: 90 (10 reviews)

1-(4-Chlorobenzyl)-5-oxopyrrolidine-3-carboxylic acid

CAS No.:

96449-92-2

Catalog Number:

AG005TZ8

Molecular Formula:

C12H12ClNO3

Molecular Weight:

253.6816

Catalog Number:

AG005TZ8

Chemical Name:

1-(4-Chlorobenzyl)-5-oxopyrrolidine-3-carboxylic acid

CAS Number:

96449-92-2

Molecular Formula:

C12H12ClNO3

Molecular Weight:

253.6816

MDL Number:

MFCD00084925

IUPAC Name:

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

InChI:

InChI=1S/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)

InChI Key:

TUZRKETZXNMRCF-UHFFFAOYSA-N

SMILES:

OC(=O)C1CN(C(=O)C1)Cc1ccc(cc1)Cl

Complexity:

313

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

253.051g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

253.682g/mol

Monoisotopic Mass:

253.051g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

57.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.1