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87896-17-1 | 1H-Benzimidazole-2-pentanenitrile, 4,5,6,7-tetrahydro-
CAS No: 87896-17-1 Catalog No: AG004IJ9 MDL No:
Product Description
Catalog Number:
AG004IJ9
Chemical Name:
1H-Benzimidazole-2-pentanenitrile, 4,5,6,7-tetrahydro-
CAS Number:
87896-17-1
Molecular Formula:
C12H17N3
Molecular Weight:
203.2835
IUPAC Name:
5-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pentanenitrile
InChI:
InChI=1S/C12H17N3/c13-9-5-1-2-8-12-14-10-6-3-4-7-11(10)15-12/h1-8H2,(H,14,15)
InChI Key:
SGMCXJOVPXIXMT-UHFFFAOYSA-N
SMILES:
N#CCCCCc1nc2c([nH]1)CCCC2
Properties
Complexity:
243
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.142g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
203.289g/mol
Monoisotopic Mass:
203.142g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
52.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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