Name: Name:2-Benzoxazoleacetonitrile, α,α-dimethyl-
Brand: Angene
SKU: AG001POC
Rating: 90 (10 reviews)

2-Benzoxazoleacetonitrile, α,α-dimethyl-

CAS No.:

157763-81-0

Catalog Number:

AG001POC

Molecular Formula:

C11H10N2O

Molecular Weight:

186.2099

Catalog Number:

AG001POC

Chemical Name:

2-Benzoxazoleacetonitrile, α,α-dimethyl-

CAS Number:

157763-81-0

Molecular Formula:

C11H10N2O

Molecular Weight:

186.2099

MDL Number:

MFCD08166396

IUPAC Name:

2-(1,3-benzoxazol-2-yl)-2-methylpropanenitrile

InChI:

InChI=1S/C11H10N2O/c1-11(2,7-12)10-13-8-5-3-4-6-9(8)14-10/h3-6H,1-2H3

InChI Key:

VNMKWZBURQHRLC-UHFFFAOYSA-N

SMILES:

N#CC(c1nc2c(o1)cccc2)(C)C

Complexity:

266

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

186.079g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

186.214g/mol

Monoisotopic Mass:

186.079g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

49.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.4