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21094-70-2 | 1H-Benzimidazole, 2-[(phenylsulfonyl)methyl]-
CAS No: 21094-70-2 Catalog No: AG002L32 MDL No:MFCD02044407
Product Description
Catalog Number:
AG002L32
Chemical Name:
1H-Benzimidazole, 2-[(phenylsulfonyl)methyl]-
CAS Number:
21094-70-2
Molecular Formula:
C14H12N2O2S
Molecular Weight:
272.3223
MDL Number:
MFCD02044407
IUPAC Name:
2-(benzenesulfonylmethyl)-1H-benzimidazole
InChI:
InChI=1S/C14H12N2O2S/c17-19(18,11-6-2-1-3-7-11)10-14-15-12-8-4-5-9-13(12)16-14/h1-9H,10H2,(H,15,16)
InChI Key:
KVUPWJMSALRLRJ-UHFFFAOYSA-N
SMILES:
O=S(=O)(c1ccccc1)Cc1nc2c([nH]1)cccc2
Properties
Complexity:
398
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.062g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
272.322g/mol
Monoisotopic Mass:
272.062g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
71.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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