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150145-19-0 | Methanesulfonic acid, 1,1,1-trifluoro-, 5-chloro-3-pyridinyl ester
CAS No: 150145-19-0 Catalog No: AG001MDB MDL No:
Product Description
Catalog Number:
AG001MDB
Chemical Name:
Methanesulfonic acid, 1,1,1-trifluoro-, 5-chloro-3-pyridinyl ester
CAS Number:
150145-19-0
Molecular Formula:
C6H3ClF3NO3S
Molecular Weight:
261.6061
IUPAC Name:
(5-chloropyridin-3-yl) trifluoromethanesulfonate
InChI:
InChI=1S/C6H3ClF3NO3S/c7-4-1-5(3-11-2-4)14-15(12,13)6(8,9)10/h1-3H
InChI Key:
JJLIHTCEFNQHGH-UHFFFAOYSA-N
SMILES:
Clc1cncc(c1)OS(=O)(=O)C(F)(F)F
Properties
Complexity:
313
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.947g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
261.599g/mol
Monoisotopic Mass:
260.947g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
64.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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