Name: Name:1-(4-fluorobenzenesulfonyl)cyclohexane-1-carboxylic acid
Brand: Angene
SKU: AG01BBN5
Rating: 90 (10 reviews)

1-(4-fluorobenzenesulfonyl)cyclohexane-1-carboxylic acid

CAS No.:

1153968-51-4

Catalog Number:

AG01BBN5

Molecular Formula:

C13H15FO4S

Molecular Weight:

286.3192

Catalog Number:

AG01BBN5

Chemical Name:

1-(4-fluorobenzenesulfonyl)cyclohexane-1-carboxylic acid

CAS Number:

1153968-51-4

Molecular Formula:

C13H15FO4S

Molecular Weight:

286.3192

MDL Number:

MFCD12678438

IUPAC Name:

1-(4-fluorophenyl)sulfonylcyclohexane-1-carboxylic acid

InChI:

InChI=1S/C13H15FO4S/c14-10-4-6-11(7-5-10)19(17,18)13(12(15)16)8-2-1-3-9-13/h4-7H,1-3,8-9H2,(H,15,16)

InChI Key:

KBVLCNIYILVXKG-UHFFFAOYSA-N

SMILES:

OC(=O)C1(CCCCC1)S(=O)(=O)c1ccc(cc1)F

Complexity:

426

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

286.068g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

286.317g/mol

Monoisotopic Mass:

286.068g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

79.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.5