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Home > Aldehydes > 914637-53-9
914637-53-9 | 2-(phenylsulphonyl)-5-(trifluoromethyl)benzaldehyde
CAS No: 914637-53-9 Catalog No: AG01EZ1Y MDL No:
Product Description
Catalog Number:
AG01EZ1Y
Chemical Name:
2-(phenylsulphonyl)-5-(trifluoromethyl)benzaldehyde
CAS Number:
914637-53-9
Molecular Formula:
C14H9F3O3S
Molecular Weight:
314.2797
IUPAC Name:
2-(benzenesulfonyl)-5-(trifluoromethyl)benzaldehyde
InChI:
InChI=1S/C14H9F3O3S/c15-14(16,17)11-6-7-13(10(8-11)9-18)21(19,20)12-4-2-1-3-5-12/h1-9H
InChI Key:
CZJZGHSIAGQDOQ-UHFFFAOYSA-N
SMILES:
O=Cc1cc(ccc1S(=O)(=O)c1ccccc1)C(F)(F)F
Properties
Complexity:
461
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
314.022g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
314.278g/mol
Monoisotopic Mass:
314.022g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
59.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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