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51100-82-4 | 1H-Benzimidazole-2-propanenitrile(9CI)
CAS No: 51100-82-4 Catalog No: AG00DWL0 MDL No:
Product Description
Catalog Number:
AG00DWL0
Chemical Name:
1H-Benzimidazole-2-propanenitrile(9CI)
CAS Number:
51100-82-4
IUPAC Name:
3-(1H-benzimidazol-2-yl)propanenitrile
InChI:
InChI=1S/C10H9N3/c11-7-3-6-10-12-8-4-1-2-5-9(8)13-10/h1-2,4-5H,3,6H2,(H,12,13)
InChI Key:
CKPCDTRDHYFHLI-UHFFFAOYSA-N
Properties
Complexity:
218
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
171.08g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
171.203g/mol
Monoisotopic Mass:
171.08g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
52.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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