Name: Name:Methanesulfonic acid, 1,1,1-trifluoro-, 2-bromo-6-methyl-4-nitrophenyl ester
Brand: Angene
SKU: AG001C9Z
Rating: 90 (10 reviews)

Methanesulfonic acid, 1,1,1-trifluoro-, 2-bromo-6-methyl-4-nitrophenyl ester

CAS No.:

1403666-47-6

Catalog Number:

AG001C9Z

Molecular Formula:

C8H5BrF3NO5S

Molecular Weight:

364.0932

Catalog Number:

AG001C9Z

Chemical Name:

Methanesulfonic acid, 1,1,1-trifluoro-, 2-bromo-6-methyl-4-nitrophenyl ester

CAS Number:

1403666-47-6

Molecular Formula:

C8H5BrF3NO5S

Molecular Weight:

364.0932

MDL Number:

MFCD27975431

IUPAC Name:

(2-bromo-6-methyl-4-nitrophenyl) trifluoromethanesulfonate

InChI:

InChI=1S/C8H5BrF3NO5S/c1-4-2-5(13(14)15)3-6(9)7(4)18-19(16,17)8(10,11)12/h2-3H,1H3

InChI Key:

XROGYOMSLQRTCV-UHFFFAOYSA-N

SMILES:

Cc1cc(cc(c1OS(=O)(=O)C(F)(F)F)Br)[N+](=O)[O-]

Complexity:

443

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

362.902g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

364.089g/mol

Monoisotopic Mass:

362.902g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

97.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.6