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Home > Imidazoles > 51100-91-5
51100-91-5 | 1H-Benzimidazole-2-butanenitrile(9CI)
CAS No: 51100-91-5 Catalog No: AG00DWM3 MDL No:
Product Description
Catalog Number:
AG00DWM3
Chemical Name:
1H-Benzimidazole-2-butanenitrile(9CI)
CAS Number:
51100-91-5
IUPAC Name:
4-(1H-benzimidazol-2-yl)butanenitrile
InChI:
InChI=1S/C11H11N3/c12-8-4-3-7-11-13-9-5-1-2-6-10(9)14-11/h1-2,5-6H,3-4,7H2,(H,13,14)
InChI Key:
VZTNSUAONZCXPE-UHFFFAOYSA-N
Properties
Complexity:
230
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.095g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
185.23g/mol
Monoisotopic Mass:
185.095g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
52.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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