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58553-97-2 | 1H-Benzimidazole-1-butanenitrile(9CI)
CAS No: 58553-97-2 Catalog No: AG00EWGI MDL No:
Product Description
Catalog Number:
AG00EWGI
Chemical Name:
1H-Benzimidazole-1-butanenitrile(9CI)
CAS Number:
58553-97-2
IUPAC Name:
4-(benzimidazol-1-yl)butanenitrile
InChI:
InChI=1S/C11H11N3/c12-7-3-4-8-14-9-13-10-5-1-2-6-11(10)14/h1-2,5-6,9H,3-4,8H2
InChI Key:
DDORQOJXTXYJDR-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:
0
Isotope Atom Count:
0
Molecular Weight:
185.23g/mol
Monoisotopic Mass:
185.095g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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