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Home > Fluorides > 123172-86-1
123172-86-1 | Methanesulfonic acid, 1,1,1-trifluoro-, 1-isoquinolinyl ester
CAS No: 123172-86-1 Catalog No: AG000K3Q MDL No:
Product Description
Catalog Number:
AG000K3Q
Chemical Name:
Methanesulfonic acid, 1,1,1-trifluoro-, 1-isoquinolinyl ester
CAS Number:
123172-86-1
Molecular Formula:
C10H6F3NO3S
Molecular Weight:
277.2197
IUPAC Name:
isoquinolin-1-yl trifluoromethanesulfonate
InChI:
InChI=1S/C10H6F3NO3S/c11-10(12,13)18(15,16)17-9-8-4-2-1-3-7(8)5-6-14-9/h1-6H
InChI Key:
LKRXPWBAEDPVJK-UHFFFAOYSA-N
SMILES:
O=S(=O)(C(F)(F)F)Oc1nccc2c1cccc2
Properties
Complexity:
390
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
277.002g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
277.217g/mol
Monoisotopic Mass:
277.002g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
64.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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