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Home > Imidazoles > 221289-88-9
221289-88-9 | 2,3-DIHYDRO-2-OXO-1H-BENZIMIDAZOLE-5-CARBONITRILE
CAS No: 221289-88-9 Catalog No: AG00BEZ3 MDL No:MFCD06659795
Product Description
Catalog Number:
AG00BEZ3
Chemical Name:
2,3-DIHYDRO-2-OXO-1H-BENZIMIDAZOLE-5-CARBONITRILE
CAS Number:
221289-88-9
Molecular Formula:
C8H5N3O
Molecular Weight:
159.1448
MDL Number:
MFCD06659795
IUPAC Name:
2-oxo-1,3-dihydrobenzimidazole-5-carbonitrile
InChI:
InChI=1S/C8H5N3O/c9-4-5-1-2-6-7(3-5)11-8(12)10-6/h1-3H,(H2,10,11,12)
InChI Key:
HMERLJKYKSAIMU-UHFFFAOYSA-N
SMILES:
N#Cc1ccc2c(c1)[nH]c(=O)[nH]2
Properties
Complexity:
254
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
159.043g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
159.148g/mol
Monoisotopic Mass:
159.043g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
64.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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