Name: Name:3-(2,2,2-trifluoroethanesulfonyl)benzoic acid
Brand: Angene
SKU: AG01AH1O
Rating: 90 (10 reviews)

3-(2,2,2-trifluoroethanesulfonyl)benzoic acid

CAS No.:

1094264-43-3

Catalog Number:

AG01AH1O

Molecular Formula:

C9H7F3O4S

Molecular Weight:

268.2097

Catalog Number:

AG01AH1O

Chemical Name:

3-(2,2,2-trifluoroethanesulfonyl)benzoic acid

CAS Number:

1094264-43-3

Molecular Formula:

C9H7F3O4S

Molecular Weight:

268.2097

MDL Number:

MFCD11179707

IUPAC Name:

3-(2,2,2-trifluoroethylsulfonyl)benzoic acid

InChI:

InChI=1S/C9H7F3O4S/c10-9(11,12)5-17(15,16)7-3-1-2-6(4-7)8(13)14/h1-4H,5H2,(H,13,14)

InChI Key:

LWNQKSDXFYJKOL-UHFFFAOYSA-N

SMILES:

OC(=O)c1cccc(c1)S(=O)(=O)CC(F)(F)F

Complexity:

382

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

268.002g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

268.206g/mol

Monoisotopic Mass:

268.002g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

79.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.7