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51100-92-6 | 1H-Benzimidazole-2-pentanenitrile(9CI)
CAS No: 51100-92-6 Catalog No: AG00DWHT MDL No:
Product Description
Catalog Number:
AG00DWHT
Chemical Name:
1H-Benzimidazole-2-pentanenitrile(9CI)
CAS Number:
51100-92-6
IUPAC Name:
5-(1H-benzimidazol-2-yl)pentanenitrile
InChI:
InChI=1S/C12H13N3/c13-9-5-1-2-8-12-14-10-6-3-4-7-11(10)15-12/h3-4,6-7H,1-2,5,8H2,(H,14,15)
InChI Key:
PBBQJYCBNGAGBS-UHFFFAOYSA-N
Properties
Complexity:
243
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.111g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
199.257g/mol
Monoisotopic Mass:
199.111g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
52.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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