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Home > Imidazoles > 88482-11-5
88482-11-5 | 1H-Benzimidazole-2-acetonitrile, 1-(1-oxopropyl)-
CAS No: 88482-11-5 Catalog No: AG008ALF MDL No:
Product Description
Catalog Number:
AG008ALF
Chemical Name:
1H-Benzimidazole-2-acetonitrile, 1-(1-oxopropyl)-
CAS Number:
88482-11-5
Molecular Formula:
C12H11N3O
Molecular Weight:
213.2352
IUPAC Name:
2-(1-propanoylbenzimidazol-2-yl)acetonitrile
InChI:
InChI=1S/C12H11N3O/c1-2-12(16)15-10-6-4-3-5-9(10)14-11(15)7-8-13/h3-6H,2,7H2,1H3
InChI Key:
NJGCVMDYWDKEIU-UHFFFAOYSA-N
SMILES:
N#CCc1nc2c(n1C(=O)CC)cccc2
Properties
Complexity:
320
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.09g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
213.24g/mol
Monoisotopic Mass:
213.09g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
58.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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