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Home > Imidazoles > 1547913-76-7
1547913-76-7 | 2-(Cyanomethyl)-7-(methylsulfonyl)benzimidazole
CAS No: 1547913-76-7 Catalog No: AG00J7PV MDL No:MFCD24279699
Product Description
Catalog Number:
AG00J7PV
Chemical Name:
2-(Cyanomethyl)-7-(methylsulfonyl)benzimidazole
CAS Number:
1547913-76-7
Molecular Formula:
C10H9N3O2S
Molecular Weight:
235.2624
MDL Number:
MFCD24279699
IUPAC Name:
2-(4-methylsulfonyl-1H-benzimidazol-2-yl)acetonitrile
InChI:
InChI=1S/C10H9N3O2S/c1-16(14,15)8-4-2-3-7-10(8)13-9(12-7)5-6-11/h2-4H,5H2,1H3,(H,12,13)
InChI Key:
IDNUJIMGHKQKHF-UHFFFAOYSA-N
SMILES:
N#CCc1nc2c([nH]1)c(ccc2)S(=O)(=O)C
Properties
Complexity:
406
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.042g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
235.261g/mol
Monoisotopic Mass:
235.042g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
95A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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