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144242-09-1 | 1-Cycloheptene-1-carboxylic acid, 2-[[(trifluoromethyl)sulfonyl]oxy]-, ethyl ester
CAS No: 144242-09-1 Catalog No: AG001J5Y MDL No:MFCD19440808
Product Description
Catalog Number:
AG001J5Y
Chemical Name:
1-Cycloheptene-1-carboxylic acid, 2-[[(trifluoromethyl)sulfonyl]oxy]-, ethyl ester
CAS Number:
144242-09-1
Molecular Formula:
C11H15F3O5S
Molecular Weight:
316.2940
MDL Number:
MFCD19440808
IUPAC Name:
ethyl 2-(trifluoromethylsulfonyloxy)cycloheptene-1-carboxylate
InChI:
InChI=1S/C11H15F3O5S/c1-2-18-10(15)8-6-4-3-5-7-9(8)19-20(16,17)11(12,13)14/h2-7H2,1H3
InChI Key:
RNQHHTQNNUOSDJ-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1=C(CCCCC1)OS(=O)(=O)C(F)(F)F
Properties
Complexity:
487
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
316.059g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
316.291g/mol
Monoisotopic Mass:
316.059g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
78A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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