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13570-04-2 | 1H-Benzimidazole, 2-hexadecyl-
CAS No: 13570-04-2 Catalog No: AG0072JB MDL No:
Product Description
Catalog Number:
AG0072JB
Chemical Name:
1H-Benzimidazole, 2-hexadecyl-
CAS Number:
13570-04-2
Molecular Formula:
C23H38N2
Molecular Weight:
342.5612
IUPAC Name:
2-hexadecyl-1H-benzimidazole
InChI:
InChI=1S/C23H38N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20-23-24-21-18-16-17-19-22(21)25-23/h16-19H,2-15,20H2,1H3,(H,24,25)
InChI Key:
GGVHPTKHGMNOFO-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCc1nc2c([nH]1)cccc2
Properties
Complexity:
305
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
342.303g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
342.571g/mol
Monoisotopic Mass:
342.303g/mol
Rotatable Bond Count:
15
Topological Polar Surface Area:
28.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
9.5
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