Name: Name:1H-Benzimidazole-2-acetonitrile,5-fluoro-(9CI)
Brand: Angene
SKU: AG009P8W
Rating: 90 (10 reviews)

1H-Benzimidazole-2-acetonitrile,5-fluoro-(9CI)

CAS No.:

115201-20-2

Catalog Number:

AG009P8W

Molecular Formula:

C9H6FN3

Molecular Weight:

175.1624

Catalog Number:

AG009P8W

Chemical Name:

1H-Benzimidazole-2-acetonitrile,5-fluoro-(9CI)

CAS Number:

115201-20-2

Molecular Formula:

C9H6FN3

Molecular Weight:

175.1624

MDL Number:

MFCD18807767

IUPAC Name:

2-(6-fluoro-1H-benzimidazol-2-yl)acetonitrile

InChI:

InChI=1S/C9H6FN3/c10-6-1-2-7-8(5-6)13-9(12-7)3-4-11/h1-2,5H,3H2,(H,12,13)

InChI Key:

YWFLAMGQWYAIFX-UHFFFAOYSA-N

SMILES:

N#CCc1nc2c([nH]1)ccc(c2)F

Complexity:

234

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

175.055g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

175.166g/mol

Monoisotopic Mass:

175.055g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

52.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.7