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126076-76-4 | Benzaldehyde, 2-(phenylsulfonyl)-
CAS No: 126076-76-4 Catalog No: AG000R4V MDL No:MFCD01025569
Product Description
Catalog Number:
AG000R4V
Chemical Name:
Benzaldehyde, 2-(phenylsulfonyl)-
CAS Number:
126076-76-4
Molecular Formula:
C13H10O3S
Molecular Weight:
246.2817
MDL Number:
MFCD01025569
IUPAC Name:
2-(benzenesulfonyl)benzaldehyde
InChI:
InChI=1S/C13H10O3S/c14-10-11-6-4-5-9-13(11)17(15,16)12-7-2-1-3-8-12/h1-10H
InChI Key:
CWKMIEALBOKDCD-UHFFFAOYSA-N
SMILES:
O=Cc1ccccc1S(=O)(=O)c1ccccc1
Properties
Complexity:
349
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.035g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
246.28g/mol
Monoisotopic Mass:
246.035g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
59.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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