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Home > Fluorides > 139650-04-7
139650-04-7 | Benzenesulfonyl fluoride, 5-formyl-2-methyl-
CAS No: 139650-04-7 Catalog No: AG001BGL MDL No:
Product Description
Catalog Number:
AG001BGL
Chemical Name:
Benzenesulfonyl fluoride, 5-formyl-2-methyl-
CAS Number:
139650-04-7
Molecular Formula:
C8H7FO3S
Molecular Weight:
202.2028
IUPAC Name:
5-formyl-2-methylbenzenesulfonyl fluoride
InChI:
InChI=1S/C8H7FO3S/c1-6-2-3-7(5-10)4-8(6)13(9,11)12/h2-5H,1H3
InChI Key:
QMLLMXYFYFWXCO-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(c(c1)S(=O)(=O)F)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:
1.5
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