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1446016-75-6 | Methanesulfonic acid, 1,1,1-trifluoro-, 4-chloro-2-methylphenyl ester
CAS No: 1446016-75-6 Catalog No: AG001JTY MDL No:
Product Description
Catalog Number:
AG001JTY
Chemical Name:
Methanesulfonic acid, 1,1,1-trifluoro-, 4-chloro-2-methylphenyl ester
CAS Number:
1446016-75-6
Molecular Formula:
C8H6ClF3O3S
Molecular Weight:
274.6446
IUPAC Name:
(4-chloro-2-methylphenyl) trifluoromethanesulfonate
InChI:
InChI=1S/C8H6ClF3O3S/c1-5-4-6(9)2-3-7(5)15-16(13,14)8(10,11)12/h2-4H,1H3
InChI Key:
GECYAQNQPGLIHX-UHFFFAOYSA-N
SMILES:
Clc1ccc(c(c1)C)OS(=O)(=O)C(F)(F)F
Properties
Complexity:
335
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.968g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
274.638g/mol
Monoisotopic Mass:
273.968g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
51.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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