Name: Name:Benzeneacetonitrile, 4-chloro-α-(1-methylethyl)-
Brand: Angene
SKU: AG002D98
Rating: 90 (10 reviews)

Benzeneacetonitrile, 4-chloro-α-(1-methylethyl)-

CAS No.:

2012-81-9

Catalog Number:

AG002D98

Molecular Formula:

C11H12ClN

Molecular Weight:

193.6727

Catalog Number:

AG002D98

Chemical Name:

Benzeneacetonitrile, 4-chloro-α-(1-methylethyl)-

CAS Number:

2012-81-9

Molecular Formula:

C11H12ClN

Molecular Weight:

193.6727

MDL Number:

MFCD00043690

IUPAC Name:

2-(4-chlorophenyl)-3-methylbutanenitrile

InChI:

InChI=1S/C11H12ClN/c1-8(2)11(7-13)9-3-5-10(12)6-4-9/h3-6,8,11H,1-2H3

InChI Key:

RBGSZIRWNWQDOK-UHFFFAOYSA-N

SMILES:

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

EC Number:

217-935-7

Complexity:

195

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

193.066g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

193.674g/mol

Monoisotopic Mass:

193.066g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

23.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.3