Name: Name:1-Naphthalenecarboxylic acid, 2-[[(trifluoromethyl)sulfonyl]oxy]-, methyl ester
Brand: Angene
SKU: AG002CUH
Rating: 90 (10 reviews)

1-Naphthalenecarboxylic acid, 2-[[(trifluoromethyl)sulfonyl]oxy]-, methyl ester

CAS No.:

200573-11-1

Catalog Number:

AG002CUH

Molecular Formula:

C13H9F3O5S

Molecular Weight:

334.2678

Catalog Number:

AG002CUH

Chemical Name:

1-Naphthalenecarboxylic acid, 2-[[(trifluoromethyl)sulfonyl]oxy]-, methyl ester

CAS Number:

200573-11-1

Molecular Formula:

C13H9F3O5S

Molecular Weight:

334.2678

MDL Number:

MFCD04039773

IUPAC Name:

methyl 2-(trifluoromethylsulfonyloxy)naphthalene-1-carboxylate

InChI:

InChI=1S/C13H9F3O5S/c1-20-12(17)11-9-5-3-2-4-8(9)6-7-10(11)21-22(18,19)13(14,15)16/h2-7H,1H3

InChI Key:

BDXDWDCWSCPFEW-UHFFFAOYSA-N

SMILES:

COC(=O)c1c(ccc2c1cccc2)OS(=O)(=O)C(F)(F)F

Complexity:

511

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

334.012g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

334.265g/mol

Monoisotopic Mass:

334.012g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

78A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.8