Name: Name:Benzeneacetonitrile, 4-(bromomethyl)-α,α-dimethyl-
Brand: Angene
SKU: AG000QFP
Rating: 90 (10 reviews)

Benzeneacetonitrile, 4-(bromomethyl)-α,α-dimethyl-

CAS No.:

1201643-73-3

Catalog Number:

AG000QFP

Molecular Formula:

C11H12BrN

Molecular Weight:

238.1237

Catalog Number:

AG000QFP

Chemical Name:

Benzeneacetonitrile, 4-(bromomethyl)-α,α-dimethyl-

CAS Number:

1201643-73-3

Molecular Formula:

C11H12BrN

Molecular Weight:

238.1237

MDL Number:

MFCD20184913

IUPAC Name:

2-[4-(bromomethyl)phenyl]-2-methylpropanenitrile

InChI:

InChI=1S/C11H12BrN/c1-11(2,8-13)10-5-3-9(7-12)4-6-10/h3-6H,7H2,1-2H3

InChI Key:

VSTXAWAMUHWZBE-UHFFFAOYSA-N

SMILES:

BrCc1ccc(cc1)C(C#N)(C)C

Complexity:

205

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

237.015g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

238.128g/mol

Monoisotopic Mass:

237.015g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

23.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.1