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Home > Aldehydes > 254878-95-0
254878-95-0 | 3-FLUORO-4-(METHYLSULFONYL)-BENZALDEHYDE
CAS No: 254878-95-0 Catalog No: AG007MZE MDL No:MFCD11846869
Product Description
Catalog Number:
AG007MZE
Chemical Name:
3-FLUORO-4-(METHYLSULFONYL)-BENZALDEHYDE
CAS Number:
254878-95-0
Molecular Formula:
C8H7FO3S
Molecular Weight:
202.2028
MDL Number:
MFCD11846869
IUPAC Name:
3-fluoro-4-methylsulfonylbenzaldehyde
InChI:
InChI=1S/C8H7FO3S/c1-13(11,12)8-3-2-6(5-10)4-7(8)9/h2-5H,1H3
InChI Key:
ATFKDQOGYYWXIY-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(c(c1)F)S(=O)(=O)C
Properties
Complexity:
280
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.01g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
202.199g/mol
Monoisotopic Mass:
202.01g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
59.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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