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66700-40-1 | 1H-Benzimidazol-2-acetonitrile, alpha-((2methoxyphenyl)methylene)-
CAS No: 66700-40-1 Catalog No: AG00FR14 MDL No:
Product Description
Catalog Number:
AG00FR14
Chemical Name:
1H-Benzimidazol-2-acetonitrile, alpha-((2methoxyphenyl)methylene)-
CAS Number:
66700-40-1
Molecular Formula:
C17H13N3O
Molecular Weight:
275.3046
IUPAC Name:
2-(1H-benzimidazol-2-yl)-3-(2-methoxyphenyl)prop-2-enenitrile
InChI:
InChI=1S/C17H13N3O/c1-21-16-9-5-2-6-12(16)10-13(11-18)17-19-14-7-3-4-8-15(14)20-17/h2-10H,1H3,(H,19,20)
InChI Key:
IILGBLKLVZVLMJ-UHFFFAOYSA-N
SMILES:
COc1ccccc1C=C(c1nc2c([nH]1)cccc2)C#N
Properties
Complexity:
439
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
275.106g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
275.311g/mol
Monoisotopic Mass:
275.106g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
61.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.3
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