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Home > Imidazoles > 89434-77-5
89434-77-5 | Benzonitrile, 4-(4-pentyl-1H-imidazol-2-yl)-
CAS No: 89434-77-5 Catalog No: AG0088L4 MDL No:
Product Description
Catalog Number:
AG0088L4
Chemical Name:
Benzonitrile, 4-(4-pentyl-1H-imidazol-2-yl)-
CAS Number:
89434-77-5
Molecular Formula:
C15H17N3
Molecular Weight:
239.3156
IUPAC Name:
4-(5-pentyl-1H-imidazol-2-yl)benzonitrile
InChI:
InChI=1S/C15H17N3/c1-2-3-4-5-14-11-17-15(18-14)13-8-6-12(10-16)7-9-13/h6-9,11H,2-5H2,1H3,(H,17,18)
InChI Key:
ANUSKSDGADOCQN-UHFFFAOYSA-N
SMILES:
CCCCCc1c[nH]c(n1)c1ccc(cc1)C#N
Properties
Complexity:
285
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.142g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
239.322g/mol
Monoisotopic Mass:
239.142g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
52.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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