Name: Name:Methanesulfonic acid, trifluoro-, 4-methyl-2-nitrophenyl ester
Brand: Angene
SKU: AG00748P
Rating: 90 (10 reviews)

Methanesulfonic acid, trifluoro-, 4-methyl-2-nitrophenyl ester

CAS No.:

195455-54-0

Catalog Number:

AG00748P

Molecular Formula:

C8H6F3NO5S

Molecular Weight:

285.1971

Catalog Number:

AG00748P

Chemical Name:

Methanesulfonic acid, trifluoro-, 4-methyl-2-nitrophenyl ester

CAS Number:

195455-54-0

Molecular Formula:

C8H6F3NO5S

Molecular Weight:

285.1971

MDL Number:

MFCD25541871

IUPAC Name:

(4-methyl-2-nitrophenyl) trifluoromethanesulfonate

InChI:

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

InChI Key:

PJUPDNUBFUXJEN-UHFFFAOYSA-N

SMILES:

Cc1ccc(c(c1)[N+](=O)[O-])OS(=O)(=O)C(F)(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:

2.9