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Home > Imidazoles > 63928-15-4
63928-15-4 | 1H-Benzimidazole-2-acetonitrile,5-methoxy-(9CI)
CAS No: 63928-15-4 Catalog No: AG00EWEX MDL No:MFCD18807768
Product Description
Catalog Number:
AG00EWEX
Chemical Name:
1H-Benzimidazole-2-acetonitrile,5-methoxy-(9CI)
CAS Number:
63928-15-4
Molecular Formula:
C10H9N3O
Molecular Weight:
187.1980
MDL Number:
MFCD18807768
IUPAC Name:
2-(6-methoxy-1H-benzimidazol-2-yl)acetonitrile
InChI:
InChI=1S/C10H9N3O/c1-14-7-2-3-8-9(6-7)13-10(12-8)4-5-11/h2-3,6H,4H2,1H3,(H,12,13)
InChI Key:
OYWGPHBMKLNVKU-UHFFFAOYSA-N
SMILES:
N#CCc1nc2c([nH]1)ccc(c2)OC
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:
1.6
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