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28143-80-8

28143-80-8 | 3-Methylbut-2-en-2-yl trifluoromethanesulfonate

CAS No: 28143-80-8 Catalog No: AG01F9X9 MDL No:

Product Description

Catalog Number:
AG01F9X9
Chemical Name:
3-Methylbut-2-en-2-yl trifluoromethanesulfonate
CAS Number:
28143-80-8
Molecular Formula:
C6H9F3O3S
Molecular Weight:
218.1941
IUPAC Name:
3-methylbut-2-en-2-yl trifluoromethanesulfonate
InChI:
InChI=1S/C6H9F3O3S/c1-4(2)5(3)12-13(10,11)6(7,8)9/h1-3H3
InChI Key:
ZOTJNLNOJYKPOI-UHFFFAOYSA-N
SMILES:
CC(=C(C)C)OS(=O)(=O)C(F)(F)F
NSC Number:
266189

Properties

Complexity:
303  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.022g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
218.19g/mol
Monoisotopic Mass:
218.022g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
51.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  

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