Home Sulfos Benzaldehyde, 2-(phenylsulfonyl)-

Benzaldehyde, 2-(phenylsulfonyl)-

CAS No.:
126076-76-4
Catalog Number:
AG000R4V
Molecular Formula:
C13H10O3S
Molecular Weight:
246.2817
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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  
Properties