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Home > Imidazoles > 79613-18-6
79613-18-6 | (2E)-2-(1H-BENZIMIDAZOL-2-YL)-3-(4-HYDROXYPHENYL)ACRYLONITRILE
CAS No: 79613-18-6 Catalog No: AG0057QL MDL No:MFCD00815490
Product Description
Catalog Number:
AG0057QL
Chemical Name:
(2E)-2-(1H-BENZIMIDAZOL-2-YL)-3-(4-HYDROXYPHENYL)ACRYLONITRILE
CAS Number:
79613-18-6
Molecular Formula:
C16H11N3O
Molecular Weight:
261.2780
MDL Number:
MFCD00815490
IUPAC Name:
2-(1H-benzimidazol-2-yl)-3-(4-hydroxyphenyl)prop-2-enenitrile
InChI:
InChI=1S/C16H11N3O/c17-10-12(9-11-5-7-13(20)8-6-11)16-18-14-3-1-2-4-15(14)19-16/h1-9,20H,(H,18,19)
InChI Key:
ITYSPALUFDQELV-UHFFFAOYSA-N
SMILES:
N#C/C(=C\c1ccc(cc1)O)/c1nc2c([nH]1)cccc2
Properties
Complexity:
417
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.09g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
261.284g/mol
Monoisotopic Mass:
261.09g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
72.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.9
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