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87639-40-5 | Methanesulfonic acid, trifluoro-, 4-phenyl-3-butynyl ester
CAS No: 87639-40-5 Catalog No: AG004ONF MDL No:
Product Description
Catalog Number:
AG004ONF
Chemical Name:
Methanesulfonic acid, trifluoro-, 4-phenyl-3-butynyl ester
CAS Number:
87639-40-5
Molecular Formula:
C11H9F3O3S
Molecular Weight:
278.2476
IUPAC Name:
4-phenylbut-3-ynyl trifluoromethanesulfonate
InChI:
InChI=1S/C11H9F3O3S/c12-11(13,14)18(15,16)17-9-5-4-8-10-6-2-1-3-7-10/h1-3,6-7H,5,9H2
InChI Key:
UBVHSWGJIPLIKD-UHFFFAOYSA-N
SMILES:
FC(S(=O)(=O)OCCC#Cc1ccccc1)(F)F
Properties
Complexity:
416
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.022g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
278.245g/mol
Monoisotopic Mass:
278.022g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
51.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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