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Home > Fluorides > 1215074-49-9
1215074-49-9 | Benzoic acid, 3-fluoro-4-(methylsulfonyl)-, methyl ester
CAS No: 1215074-49-9 Catalog No: AG001541 MDL No:MFCD15143295
Product Description
Catalog Number:
AG001541
Chemical Name:
Benzoic acid, 3-fluoro-4-(methylsulfonyl)-, methyl ester
CAS Number:
1215074-49-9
Molecular Formula:
C9H9FO4S
Molecular Weight:
232.2288
MDL Number:
MFCD15143295
IUPAC Name:
methyl 3-fluoro-4-methylsulfonylbenzoate
InChI:
InChI=1S/C9H9FO4S/c1-14-9(11)6-3-4-8(7(10)5-6)15(2,12)13/h3-5H,1-2H3
InChI Key:
ACDGZYOVJKPTRE-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(c(c1)F)S(=O)(=O)C
Properties
Complexity:
333
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.021g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
232.225g/mol
Monoisotopic Mass:
232.021g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
68.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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