Name: Name:Methanesulfonic acid, 1,1,1-trifluoro-, 2-methyl-3-nitrophenyl ester
Brand: Angene
SKU: AG001JU0
Rating: 90 (10 reviews)

Methanesulfonic acid, 1,1,1-trifluoro-, 2-methyl-3-nitrophenyl ester

CAS No.:

1446016-49-4

Catalog Number:

AG001JU0

Molecular Formula:

C8H6F3NO5S

Molecular Weight:

285.1971

Catalog Number:

AG001JU0

Chemical Name:

Methanesulfonic acid, 1,1,1-trifluoro-, 2-methyl-3-nitrophenyl ester

CAS Number:

1446016-49-4

Molecular Formula:

C8H6F3NO5S

Molecular Weight:

285.1971

MDL Number:

MFCD25541868

IUPAC Name:

(2-methyl-3-nitrophenyl) trifluoromethanesulfonate

InChI:

InChI=1S/C8H6F3NO5S/c1-5-6(12(13)14)3-2-4-7(5)17-18(15,16)8(9,10)11/h2-4H,1H3

InChI Key:

RRSCNISMYHCNPO-UHFFFAOYSA-N

SMILES:

FC(S(=O)(=O)Oc1cccc(c1C)[N+](=O)[O-])(F)F

Complexity:

410

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

284.992g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

285.193g/mol

Monoisotopic Mass:

284.992g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

97.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.5