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Home > Aldehydes > 849035-71-8
849035-71-8 | Benzaldehyde,5-fluoro-2-(methylsulfonyl)-
CAS No: 849035-71-8 Catalog No: AG004VMM MDL No:MFCD04037936
Product Description
Catalog Number:
AG004VMM
Chemical Name:
Benzaldehyde,5-fluoro-2-(methylsulfonyl)-
CAS Number:
849035-71-8
Molecular Formula:
C8H7FO3S
Molecular Weight:
202.2028
MDL Number:
MFCD04037936
IUPAC Name:
5-fluoro-2-methylsulfonylbenzaldehyde
InChI:
InChI=1S/C8H7FO3S/c1-13(11,12)8-3-2-7(9)4-6(8)5-10/h2-5H,1H3
InChI Key:
RNTFMXNEDDIEGZ-UHFFFAOYSA-N
SMILES:
O=Cc1cc(F)ccc1S(=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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