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319916-65-9 | 1H-Benzimidazole-5-carbonitrile,2-propyl-(9CI)
CAS No: 319916-65-9 Catalog No: AG00CWIV MDL No:
Product Description
Catalog Number:
AG00CWIV
Chemical Name:
1H-Benzimidazole-5-carbonitrile,2-propyl-(9CI)
CAS Number:
319916-65-9
IUPAC Name:
2-propyl-3H-benzimidazole-5-carbonitrile
InChI:
InChI=1S/C11H11N3/c1-2-3-11-13-9-5-4-8(7-12)6-10(9)14-11/h4-6H,2-3H2,1H3,(H,13,14)
InChI Key:
ALPCQNPWUVQMHG-UHFFFAOYSA-N
Properties
Complexity:
242
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:
2
Topological Polar Surface Area:
52.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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