Name: Name:Methanesulfonic acid, 1,1,1-trifluoro-, 4-nitro-3-(trifluoromethyl)phenyl ester
Brand: Angene
SKU: AG001JTX
Rating: 90 (10 reviews)

Methanesulfonic acid, 1,1,1-trifluoro-, 4-nitro-3-(trifluoromethyl)phenyl ester

CAS No.:

1446016-89-2

Catalog Number:

AG001JTX

Molecular Formula:

C8H3F6NO5S

Molecular Weight:

339.1685

Catalog Number:

AG001JTX

Chemical Name:

Methanesulfonic acid, 1,1,1-trifluoro-, 4-nitro-3-(trifluoromethyl)phenyl ester

CAS Number:

1446016-89-2

Molecular Formula:

C8H3F6NO5S

Molecular Weight:

339.1685

MDL Number:

MFCD25541875

IUPAC Name:

[4-nitro-3-(trifluoromethyl)phenyl] trifluoromethanesulfonate

InChI:

InChI=1S/C8H3F6NO5S/c9-7(10,11)5-3-4(1-2-6(5)15(16)17)20-21(18,19)8(12,13)14/h1-3H

InChI Key:

IRHRWQYWTAZINP-UHFFFAOYSA-N

SMILES:

[O-][N+](=O)c1ccc(cc1C(F)(F)F)OS(=O)(=O)C(F)(F)F

Complexity:

489

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

338.964g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

339.164g/mol

Monoisotopic Mass:

338.964g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

97.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.9