Home Sulfos (1-(trifluoromethyl)cyclopropyl)methyl 4-methylbenzenesulfonate

(1-(trifluoromethyl)cyclopropyl)methyl 4-methylbenzenesulfonate

CAS No.:
865833-72-3
Catalog Number:
AG01DJ8W
Molecular Formula:
C12H13F3O3S
Molecular Weight:
294.2900
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Product Description
Catalog Number:
AG01DJ8W
Chemical Name:
(1-(trifluoromethyl)cyclopropyl)methyl 4-methylbenzenesulfonate
CAS Number:
865833-72-3
Molecular Formula:
C12H13F3O3S
Molecular Weight:
294.2900
MDL Number:
MFCD28403754
IUPAC Name:
[1-(trifluoromethyl)cyclopropyl]methyl 4-methylbenzenesulfonate
InChI:
InChI=1S/C12H13F3O3S/c1-9-2-4-10(5-3-9)19(16,17)18-8-11(6-7-11)12(13,14)15/h2-5H,6-8H2,1H3
InChI Key:
AWARFOLZQROJPH-UHFFFAOYSA-N
SMILES:
FC(C1(CC1)COS(=O)(=O)c1ccc(cc1)C)(F)F
Properties
Complexity:
413  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
294.054g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
294.288g/mol
Monoisotopic Mass:
294.054g/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  
Properties