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126613-08-9 | Methanesulfonic acid, 1,1,1-trifluoro-, 1-bromo-2-naphthalenyl ester
CAS No: 126613-08-9 Catalog No: AG000T08 MDL No:
Product Description
Catalog Number:
AG000T08
Chemical Name:
Methanesulfonic acid, 1,1,1-trifluoro-, 1-bromo-2-naphthalenyl ester
CAS Number:
126613-08-9
Molecular Formula:
C11H6BrF3O3S
Molecular Weight:
355.1277
IUPAC Name:
(1-bromonaphthalen-2-yl) trifluoromethanesulfonate
InChI:
InChI=1S/C11H6BrF3O3S/c12-10-8-4-2-1-3-7(8)5-6-9(10)18-19(16,17)11(13,14)15/h1-6H
InChI Key:
COHWGJMHCMOXLL-UHFFFAOYSA-N
SMILES:
Brc1c(ccc2c1cccc2)OS(=O)(=O)C(F)(F)F
Properties
Complexity:
418
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
353.917g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
355.125g/mol
Monoisotopic Mass:
353.917g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
51.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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