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Home > Fluorides > 101533-70-4
101533-70-4 | Methanesulfonic acid, 1,1,1-trifluoro-, 5,6,7,8-tetrahydro-1-naphthalenyl ester
CAS No: 101533-70-4 Catalog No: AG0004QB MDL No:
Product Description
Catalog Number:
AG0004QB
Chemical Name:
Methanesulfonic acid, 1,1,1-trifluoro-, 5,6,7,8-tetrahydro-1-naphthalenyl ester
CAS Number:
101533-70-4
Molecular Formula:
C11H11F3O3S
Molecular Weight:
280.2634
IUPAC Name:
5,6,7,8-tetrahydronaphthalen-1-yl trifluoromethanesulfonate
InChI:
InChI=1S/C11H11F3O3S/c12-11(13,14)18(15,16)17-10-7-3-5-8-4-1-2-6-9(8)10/h3,5,7H,1-2,4,6H2
InChI Key:
NZJDTIFBIVYXAZ-UHFFFAOYSA-N
SMILES:
O=S(=O)(C(F)(F)F)Oc1cccc2c1CCCC2
Properties
Complexity:
385
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.038g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
280.261g/mol
Monoisotopic Mass:
280.038g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
51.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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