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140202-00-2 | Methanesulfonic acid, 1,1,1-trifluoro-, 5-isoquinolinyl ester
CAS No: 140202-00-2 Catalog No: AG001C4Y MDL No:
Product Description
Catalog Number:
AG001C4Y
Chemical Name:
Methanesulfonic acid, 1,1,1-trifluoro-, 5-isoquinolinyl ester
CAS Number:
140202-00-2
Molecular Formula:
C10H6F3NO3S
Molecular Weight:
277.2197
IUPAC Name:
isoquinolin-5-yl trifluoromethanesulfonate
InChI:
InChI=1S/C10H6F3NO3S/c11-10(12,13)18(15,16)17-9-3-1-2-7-6-14-5-4-8(7)9/h1-6H
InChI Key:
WZHGFLLEWTVYGT-UHFFFAOYSA-N
SMILES:
O=S(=O)(C(F)(F)F)Oc1cccc2c1ccnc2
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:
2.9
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