Name: Name:2-(2,4-dichlorophenyl)-4,4-dimethyl-3-oxopentanenitrile
Brand: Angene
SKU: AG01BJL0
Rating: 90 (10 reviews)

2-(2,4-dichlorophenyl)-4,4-dimethyl-3-oxopentanenitrile

CAS No.:

1152643-46-3

Catalog Number:

AG01BJL0

Molecular Formula:

C13H13Cl2NO

Molecular Weight:

270.1544

Catalog Number:

AG01BJL0

Chemical Name:

2-(2,4-dichlorophenyl)-4,4-dimethyl-3-oxopentanenitrile

CAS Number:

1152643-46-3

Molecular Formula:

C13H13Cl2NO

Molecular Weight:

270.1544

MDL Number:

MFCD11105060

IUPAC Name:

2-(2,4-dichlorophenyl)-4,4-dimethyl-3-oxopentanenitrile

InChI:

InChI=1S/C13H13Cl2NO/c1-13(2,3)12(17)10(7-16)9-5-4-8(14)6-11(9)15/h4-6,10H,1-3H3

InChI Key:

VYZXLQHZYHZADF-UHFFFAOYSA-N

SMILES:

N#CC(C(=O)C(C)(C)C)c1ccc(cc1Cl)Cl

Complexity:

339

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

269.037g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

270.153g/mol

Monoisotopic Mass:

269.037g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

40.9A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

4.2