200,000+ products from a single source!
sales@angenechem.com
Home > Imidazoles > 317817-41-7
317817-41-7 | 1H-Benzimidazole-2-acetonitrile,4-methoxy-(9CI)
CAS No: 317817-41-7 Catalog No: AG00CWLK MDL No:MFCD18807766
Product Description
Catalog Number:
AG00CWLK
Chemical Name:
1H-Benzimidazole-2-acetonitrile,4-methoxy-(9CI)
CAS Number:
317817-41-7
Molecular Formula:
C10H9N3O
Molecular Weight:
187.1980
MDL Number:
MFCD18807766
IUPAC Name:
2-(4-methoxy-1H-benzimidazol-2-yl)acetonitrile
InChI:
InChI=1S/C10H9N3O/c1-14-8-4-2-3-7-10(8)13-9(12-7)5-6-11/h2-4H,5H2,1H3,(H,12,13)
InChI Key:
PUVMVNRIJSTIGD-UHFFFAOYSA-N
SMILES:
N#CCc1nc2c([nH]1)cccc2OC
Properties
Complexity:
247
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.075g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
187.202g/mol
Monoisotopic Mass:
187.075g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
61.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.