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Home > Fluorides > 114435-86-8
114435-86-8 | Methanol, 1-fluoro-, 1-(4-methylbenzenesulfonate)
CAS No: 114435-86-8 Catalog No: AG000BBL MDL No:MFCD20482732
Product Description
Catalog Number:
AG000BBL
Chemical Name:
Methanol, 1-fluoro-, 1-(4-methylbenzenesulfonate)
CAS Number:
114435-86-8
Molecular Formula:
C8H9FO3S
Molecular Weight:
204.2187
MDL Number:
MFCD20482732
IUPAC Name:
fluoromethyl 4-methylbenzenesulfonate
InChI:
InChI=1S/C8H9FO3S/c1-7-2-4-8(5-3-7)13(10,11)12-6-9/h2-5H,6H2,1H3
InChI Key:
RFCGZPLGJZELOK-UHFFFAOYSA-N
SMILES:
FCOS(=O)(=O)c1ccc(cc1)C
Properties
Complexity:
237
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.026g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
204.215g/mol
Monoisotopic Mass:
204.026g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
51.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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