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13060-24-7 | 1H-Benzimidazole,2-octyl-
CAS No: 13060-24-7 Catalog No: AG007P0K MDL No:
Product Description
Catalog Number:
AG007P0K
Chemical Name:
1H-Benzimidazole,2-octyl-
CAS Number:
13060-24-7
Molecular Formula:
C15H22N2
Molecular Weight:
230.3486
IUPAC Name:
2-octyl-1H-benzimidazole
InChI:
InChI=1S/C15H22N2/c1-2-3-4-5-6-7-12-15-16-13-10-8-9-11-14(13)17-15/h8-11H,2-7,12H2,1H3,(H,16,17)
InChI Key:
IRMWQHINYNTMNS-UHFFFAOYSA-N
SMILES:
CCCCCCCCc1nc2c([nH]1)cccc2
Properties
Complexity:
205
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.178g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
230.355g/mol
Monoisotopic Mass:
230.178g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
28.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2
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