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Home > Imidazoles > 825613-16-9
825613-16-9 | 1H-Benzimidazole-5,6-dicarbonitrile, 2-phenyl-
CAS No: 825613-16-9 Catalog No: AG005DX7 MDL No:MFCD09032891
Product Description
Catalog Number:
AG005DX7
Chemical Name:
1H-Benzimidazole-5,6-dicarbonitrile, 2-phenyl-
CAS Number:
825613-16-9
Molecular Formula:
C15H8N4
Molecular Weight:
244.2508
MDL Number:
MFCD09032891
IUPAC Name:
2-phenyl-1H-benzimidazole-5,6-dicarbonitrile
InChI:
InChI=1S/C15H8N4/c16-8-11-6-13-14(7-12(11)9-17)19-15(18-13)10-4-2-1-3-5-10/h1-7H,(H,18,19)
InChI Key:
HCPMWHDOUZIHNI-UHFFFAOYSA-N
SMILES:
N#Cc1cc2[nH]c(nc2cc1C#N)c1ccccc1
Properties
Complexity:
422
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.075g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
244.257g/mol
Monoisotopic Mass:
244.075g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
76.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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