Name: Name:Benzenepropanoic acid, β-(acetylamino)-4-chloro-
Brand: Angene
SKU: AG002B0B
Rating: 90 (10 reviews)

Benzenepropanoic acid, β-(acetylamino)-4-chloro-

CAS No.:

197785-38-9

Catalog Number:

AG002B0B

Molecular Formula:

C11H12ClNO3

Molecular Weight:

241.6709

Catalog Number:

AG002B0B

Chemical Name:

Benzenepropanoic acid, β-(acetylamino)-4-chloro-

CAS Number:

197785-38-9

Molecular Formula:

C11H12ClNO3

Molecular Weight:

241.6709

MDL Number:

MFCD07784008

IUPAC Name:

3-acetamido-3-(4-chlorophenyl)propanoic acid

InChI:

InChI=1S/C11H12ClNO3/c1-7(14)13-10(6-11(15)16)8-2-4-9(12)5-3-8/h2-5,10H,6H2,1H3,(H,13,14)(H,15,16)

InChI Key:

MHJFYCQGHIHUSB-UHFFFAOYSA-N

SMILES:

OC(=O)CC(c1ccc(cc1)Cl)NC(=O)C

Complexity:

262

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

241.051g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

241.671g/mol

Monoisotopic Mass:

241.051g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

66.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.2