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799254-12-9 | 1H-Benzimidazole, 5-(1-heptynyl)-1,2-dimethyl-
CAS No: 799254-12-9 Catalog No: AG005F6N MDL No:
Product Description
Catalog Number:
AG005F6N
Chemical Name:
1H-Benzimidazole, 5-(1-heptynyl)-1,2-dimethyl-
CAS Number:
799254-12-9
Molecular Formula:
C16H20N2
Molecular Weight:
240.3434
IUPAC Name:
5-hept-1-ynyl-1,2-dimethylbenzimidazole
InChI:
InChI=1S/C16H20N2/c1-4-5-6-7-8-9-14-10-11-16-15(12-14)17-13(2)18(16)3/h10-12H,4-7H2,1-3H3
InChI Key:
PQSKDESNTFCFHV-UHFFFAOYSA-N
SMILES:
CCCCCC#Cc1ccc2c(c1)nc(n2C)C
Properties
Complexity:
325
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.163g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
240.35g/mol
Monoisotopic Mass:
240.163g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
17.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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