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85355-18-6 | Methanesulfonic acid, trifluoro-, 5-heptynyl ester
CAS No: 85355-18-6 Catalog No: AG004L75 MDL No:
Product Description
Catalog Number:
AG004L75
Chemical Name:
Methanesulfonic acid, trifluoro-, 5-heptynyl ester
CAS Number:
85355-18-6
Molecular Formula:
C8H11F3O3S
Molecular Weight:
244.2313
IUPAC Name:
hept-5-ynyl trifluoromethanesulfonate
InChI:
InChI=1S/C8H11F3O3S/c1-2-3-4-5-6-7-14-15(12,13)8(9,10)11/h4-7H2,1H3
InChI Key:
CZHIZANWTPPEKT-UHFFFAOYSA-N
SMILES:
CC#CCCCCOS(=O)(=O)C(F)(F)F
Properties
Complexity:
339
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.038g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
244.228g/mol
Monoisotopic Mass:
244.038g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
51.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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