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Home > Aldehydes > 942474-52-4
942474-52-4 | 2-(methylsulphonyl)-5-(trifluoromethyl)benzaldehyde
CAS No: 942474-52-4 Catalog No: AG01EZFV MDL No:
Product Description
Catalog Number:
AG01EZFV
Chemical Name:
2-(methylsulphonyl)-5-(trifluoromethyl)benzaldehyde
CAS Number:
942474-52-4
Molecular Formula:
C9H7F3O3S
Molecular Weight:
252.2103
IUPAC Name:
2-methylsulfonyl-5-(trifluoromethyl)benzaldehyde
InChI:
InChI=1S/C9H7F3O3S/c1-16(14,15)8-3-2-7(9(10,11)12)4-6(8)5-13/h2-5H,1H3
InChI Key:
FRJDFEMFIHFAHM-UHFFFAOYSA-N
SMILES:
O=Cc1cc(ccc1S(=O)(=O)C)C(F)(F)F
Properties
Complexity:
355
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.007g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
252.207g/mol
Monoisotopic Mass:
252.007g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
59.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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