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201804-83-3 | Benzofuran, 3-[(phenylsulfonyl)methyl]-
CAS No: 201804-83-3 Catalog No: AG0027V5 MDL No:
Product Description
Catalog Number:
AG0027V5
Chemical Name:
Benzofuran, 3-[(phenylsulfonyl)methyl]-
CAS Number:
201804-83-3
Molecular Formula:
C15H12O3S
Molecular Weight:
272.3190
IUPAC Name:
3-(benzenesulfonylmethyl)-1-benzofuran
InChI:
InChI=1S/C15H12O3S/c16-19(17,13-6-2-1-3-7-13)11-12-10-18-15-9-5-4-8-14(12)15/h1-10H,11H2
InChI Key:
ZULLKRYAWHFHKX-UHFFFAOYSA-N
SMILES:
O=S(=O)(c1ccccc1)Cc1coc2c1cccc2
Properties
Complexity:
392
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.051g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
272.318g/mol
Monoisotopic Mass:
272.051g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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