Name: Name:2-[2-(propan-2-yl)-1H-1,3-benzodiazol-1-yl]acetonitrile
Brand: Angene
SKU: AG01A94C
Rating: 90 (10 reviews)

2-[2-(propan-2-yl)-1H-1,3-benzodiazol-1-yl]acetonitrile

CAS No.:

1176031-20-1

Catalog Number:

AG01A94C

Molecular Formula:

C12H13N3

Molecular Weight:

199.2517

Catalog Number:

AG01A94C

Chemical Name:

2-[2-(propan-2-yl)-1H-1,3-benzodiazol-1-yl]acetonitrile

CAS Number:

1176031-20-1

Molecular Formula:

C12H13N3

Molecular Weight:

199.2517

MDL Number:

MFCD06444850

IUPAC Name:

2-(2-propan-2-ylbenzimidazol-1-yl)acetonitrile

InChI:

InChI=1S/C12H13N3/c1-9(2)12-14-10-5-3-4-6-11(10)15(12)8-7-13/h3-6,9H,8H2,1-2H3

InChI Key:

KULAWHHVYHMVIY-UHFFFAOYSA-N

SMILES:

N#CCn1c(nc2c1cccc2)C(C)C

Complexity:

265

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

199.111g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

199.257g/mol

Monoisotopic Mass:

199.111g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

41.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.5