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157373-97-2

157373-97-2 | Methanesulfonic acid, 1,1,1-trifluoro-, 2-bromo-3-pyridinyl ester

CAS No: 157373-97-2 Catalog No: AG001PEV MDL No:

Product Description

Catalog Number:
AG001PEV
Chemical Name:
Methanesulfonic acid, 1,1,1-trifluoro-, 2-bromo-3-pyridinyl ester
CAS Number:
157373-97-2
Molecular Formula:
C6H3BrF3NO3S
Molecular Weight:
306.0571
IUPAC Name:
(2-bromopyridin-3-yl) trifluoromethanesulfonate
InChI:
InChI=1S/C6H3BrF3NO3S/c7-5-4(2-1-3-11-5)14-15(12,13)6(8,9)10/h1-3H
InChI Key:
DWJIUNKBHIJMPC-UHFFFAOYSA-N
SMILES:
FC(S(=O)(=O)Oc1cccnc1Br)(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:
304.897g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
306.053g/mol
Monoisotopic Mass:
304.897g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
64.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  

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