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13493-50-0

13493-50-0 | Benzaldehyde, 4-[(phenylsulfonyl)oxy]-

CAS No: 13493-50-0 Catalog No: AG006ZUG MDL No:MFCD02609423

Product Description

Catalog Number:
AG006ZUG
Chemical Name:
Benzaldehyde, 4-[(phenylsulfonyl)oxy]-
CAS Number:
13493-50-0
Molecular Formula:
C13H10O4S
Molecular Weight:
262.2811
MDL Number:
MFCD02609423
IUPAC Name:
(4-formylphenyl) benzenesulfonate
InChI:
InChI=1S/C13H10O4S/c14-10-11-6-8-12(9-7-11)17-18(15,16)13-4-2-1-3-5-13/h1-10H
InChI Key:
BDNUPIUMVNSKPP-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(cc1)OS(=O)(=O)c1ccccc1

Properties

Complexity:
357  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.03g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
262.279g/mol
Monoisotopic Mass:
262.03g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
68.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  

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