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167031-45-0 | Methanesulfonic acid, 1,1,1-trifluoro-, 2-(bromomethyl)phenyl ester
CAS No: 167031-45-0 Catalog No: AG001X2X MDL No:
Product Description
Catalog Number:
AG001X2X
Chemical Name:
Methanesulfonic acid, 1,1,1-trifluoro-, 2-(bromomethyl)phenyl ester
CAS Number:
167031-45-0
Molecular Formula:
C8H6BrF3O3S
Molecular Weight:
319.0956
IUPAC Name:
[2-(bromomethyl)phenyl] trifluoromethanesulfonate
InChI:
InChI=1S/C8H6BrF3O3S/c9-5-6-3-1-2-4-7(6)15-16(13,14)8(10,11)12/h1-4H,5H2
InChI Key:
QZWZMOSCQQTGIH-UHFFFAOYSA-N
SMILES:
BrCc1ccccc1OS(=O)(=O)C(F)(F)F
Properties
Complexity:
322
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
317.917g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
319.092g/mol
Monoisotopic Mass:
317.917g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
51.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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