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87577-93-3 | 1H-Benzimidazole, 2-[(2-pyridinylmethyl)sulfonyl]-
CAS No: 87577-93-3 Catalog No: AG004R13 MDL No:
Product Description
Catalog Number:
AG004R13
Chemical Name:
1H-Benzimidazole, 2-[(2-pyridinylmethyl)sulfonyl]-
CAS Number:
87577-93-3
Molecular Formula:
C13H11N3O2S
Molecular Weight:
273.3103
IUPAC Name:
2-(pyridin-2-ylmethylsulfonyl)-1H-benzimidazole
InChI:
InChI=1S/C13H11N3O2S/c17-19(18,9-10-5-3-4-8-14-10)13-15-11-6-1-2-7-12(11)16-13/h1-8H,9H2,(H,15,16)
InChI Key:
HKCNUIFWUYPDBM-UHFFFAOYSA-N
SMILES:
O=S(=O)(c1nc2c([nH]1)cccc2)Cc1ccccn1
Properties
Complexity:
407
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.057g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
273.31g/mol
Monoisotopic Mass:
273.057g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
84.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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