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116538-87-5 | Ethanone, 1-[5-(phenylsulfonyl)-2-furanyl]-
CAS No: 116538-87-5 Catalog No: AG000CQ4 MDL No:
Product Description
Catalog Number:
AG000CQ4
Chemical Name:
Ethanone, 1-[5-(phenylsulfonyl)-2-furanyl]-
CAS Number:
116538-87-5
Molecular Formula:
C12H10O4S
Molecular Weight:
250.2704
IUPAC Name:
1-[5-(benzenesulfonyl)furan-2-yl]ethanone
InChI:
InChI=1S/C12H10O4S/c1-9(13)11-7-8-12(16-11)17(14,15)10-5-3-2-4-6-10/h2-8H,1H3
InChI Key:
YXCTXLXZOIRBCZ-UHFFFAOYSA-N
SMILES:
CC(=O)c1ccc(o1)S(=O)(=O)c1ccccc1
Properties
Complexity:
376
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.03g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
250.268g/mol
Monoisotopic Mass:
250.03g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
72.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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