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Home > Fluorides > 123994-49-0
123994-49-0 | Methanesulfonic acid, 1,1,1-trifluoro-, 3,4-dihydro-1-naphthalenyl ester
CAS No: 123994-49-0 Catalog No: AG000LC3 MDL No:
Product Description
Catalog Number:
AG000LC3
Chemical Name:
Methanesulfonic acid, 1,1,1-trifluoro-, 3,4-dihydro-1-naphthalenyl ester
CAS Number:
123994-49-0
Molecular Formula:
C11H9F3O3S
Molecular Weight:
278.2476
IUPAC Name:
3,4-dihydronaphthalen-1-yl trifluoromethanesulfonate
InChI:
InChI=1S/C11H9F3O3S/c12-11(13,14)18(15,16)17-10-7-3-5-8-4-1-2-6-9(8)10/h1-2,4,6-7H,3,5H2
InChI Key:
VQPPJULGDKMUML-UHFFFAOYSA-N
SMILES:
O=S(=O)(C(F)(F)F)OC1=CCCc2c1cccc2
Properties
Complexity:
433
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:
2
Topological Polar Surface Area:
51.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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