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63823-75-6 | 1H-Benzimidazole-2-acetonitrile,alpha-(hydroxyimino)-(9CI)
CAS No: 63823-75-6 Catalog No: AG00EJGO MDL No:MFCD00841115
Product Description
Catalog Number:
AG00EJGO
Chemical Name:
1H-Benzimidazole-2-acetonitrile,alpha-(hydroxyimino)-(9CI)
CAS Number:
63823-75-6
Molecular Formula:
C9H6N4O
Molecular Weight:
186.1701
MDL Number:
MFCD00841115
IUPAC Name:
(2E)-2-(1H-benzimidazol-2-yl)-2-hydroxyiminoacetonitrile
InChI:
InChI=1S/C9H6N4O/c10-5-8(13-14)9-11-6-3-1-2-4-7(6)12-9/h1-4,14H,(H,11,12)/b13-8+
InChI Key:
ISXHVGIAEHZKKT-MDWZMJQESA-N
SMILES:
ON=C(c1nc2c([nH]1)cccc2)C#N
Properties
Complexity:
292
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
186.054g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
186.174g/mol
Monoisotopic Mass:
186.054g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
85.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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