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30411-81-5 | 1H-Benzimidazole, 2-ethyl-6-methyl-
CAS No: 30411-81-5 Catalog No: AG003011 MDL No:MFCD14618844
Product Description
Catalog Number:
AG003011
Chemical Name:
1H-Benzimidazole, 2-ethyl-6-methyl-
CAS Number:
30411-81-5
Molecular Formula:
C10H12N2
Molecular Weight:
160.2157
MDL Number:
MFCD14618844
IUPAC Name:
2-ethyl-6-methyl-1H-benzimidazole
InChI:
InChI=1S/C10H12N2/c1-3-10-11-8-5-4-7(2)6-9(8)12-10/h4-6H,3H2,1-2H3,(H,11,12)
InChI Key:
ICWSZURISQHRLN-UHFFFAOYSA-N
SMILES:
CCc1nc2c([nH]1)cc(cc2)C
Properties
Complexity:
158
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
160.1g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
160.22g/mol
Monoisotopic Mass:
160.1g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
28.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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