Name: Name:Benzeneacetonitrile, 4-chloro-α,α-dimethyl-
Brand: Angene
SKU: AG0030K4
Rating: 90 (10 reviews)

Benzeneacetonitrile, 4-chloro-α,α-dimethyl-

CAS No.:

30568-32-2

Catalog Number:

AG0030K4

Molecular Formula:

C10H10ClN

Molecular Weight:

179.6461

Catalog Number:

AG0030K4

Chemical Name:

Benzeneacetonitrile, 4-chloro-α,α-dimethyl-

CAS Number:

30568-32-2

Molecular Formula:

C10H10ClN

Molecular Weight:

179.6461

MDL Number:

MFCD11036581

IUPAC Name:

2-(4-chlorophenyl)-2-methylpropanenitrile

InChI:

InChI=1S/C10H10ClN/c1-10(2,7-12)8-3-5-9(11)6-4-8/h3-6H,1-2H3

InChI Key:

GQOLYABRQATDOI-UHFFFAOYSA-N

SMILES:

N#CC(c1ccc(cc1)Cl)(C)C

Complexity:

193

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

179.05g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

179.647g/mol

Monoisotopic Mass:

179.05g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

23.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.1