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61078-14-6 | 1H-Benzimidazole, 1-methyl-2-(methylsulfonyl)-
CAS No: 61078-14-6 Catalog No: AG00374I MDL No:MFCD01470564
Product Description
Catalog Number:
AG00374I
Chemical Name:
1H-Benzimidazole, 1-methyl-2-(methylsulfonyl)-
CAS Number:
61078-14-6
Molecular Formula:
C9H10N2O2S
Molecular Weight:
210.2529
MDL Number:
MFCD01470564
IUPAC Name:
1-methyl-2-methylsulfonylbenzimidazole
InChI:
InChI=1S/C9H10N2O2S/c1-11-8-6-4-3-5-7(8)10-9(11)14(2,12)13/h3-6H,1-2H3
InChI Key:
VDZVTXFWEKBHBV-UHFFFAOYSA-N
SMILES:
Cn1c2ccccc2nc1S(=O)(=O)C
Properties
Complexity:
309
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.046g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
210.251g/mol
Monoisotopic Mass:
210.046g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
60.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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