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137691-97-5 | 1H-Benzimidazole, C-methyl-2-nonyl- (9CI)
CAS No: 137691-97-5 Catalog No: AG0013QL MDL No:
Product Description
Catalog Number:
AG0013QL
Chemical Name:
1H-Benzimidazole, C-methyl-2-nonyl- (9CI)
CAS Number:
137691-97-5
Molecular Formula:
C34H52N4
Molecular Weight:
516.8035
IUPAC Name:
1-methyl-2-nonylbenzimidazole
InChI:
InChI=1S/C17H26N2/c1-3-4-5-6-7-8-9-14-17-18-15-12-10-11-13-16(15)19(17)2/h10-13H,3-9,14H2,1-2H3
InChI Key:
KTJNNBQDJRCVQS-UHFFFAOYSA-N
SMILES:
CCCCCCCCCc1nc2c(n1C)cccc2.CCCCCCCCCc1[nH]c2c(n1)cccc2C
Properties
Complexity:
241
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.21g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
258.409g/mol
Monoisotopic Mass:
258.21g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
17.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.9
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