Name: Name:N-{1-[(4-chlorophenyl)methyl]-1-cyanoethyl}acetamide
Brand: Angene
SKU: AG01BV71
Rating: 90 (10 reviews)

N-{1-[(4-chlorophenyl)methyl]-1-cyanoethyl}acetamide

CAS No.:

2059937-38-9

Catalog Number:

AG01BV71

Molecular Formula:

C12H13ClN2O

Molecular Weight:

236.6974

Catalog Number:

AG01BV71

Chemical Name:

N-{1-[(4-chlorophenyl)methyl]-1-cyanoethyl}acetamide

CAS Number:

2059937-38-9

Molecular Formula:

C12H13ClN2O

Molecular Weight:

236.6974

MDL Number:

MFCD30535623

IUPAC Name:

N-[1-(4-chlorophenyl)-2-cyanopropan-2-yl]acetamide

InChI:

InChI=1S/C12H13ClN2O/c1-9(16)15-12(2,8-14)7-10-3-5-11(13)6-4-10/h3-6H,7H2,1-2H3,(H,15,16)

InChI Key:

PGPINKHXPDJKMK-UHFFFAOYSA-N

SMILES:

N#CC(Cc1ccc(cc1)Cl)(NC(=O)C)C

Complexity:

301

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

236.072g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

236.699g/mol

Monoisotopic Mass:

236.072g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

52.9A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.1