CAS 10130-89-9 | Benzoic acid, 4-(chlorosulfonyl)- | CAS Number 10130-89-9

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10130-89-9 | Benzoic acid, 4-(chlorosulfonyl)-

CAS No: 10130-89-9 Catalog No: AG00046G MDL No:MFCD00007448

Product Description

Catalog Number:

AG00046G

Chemical Name:

Benzoic acid, 4-(chlorosulfonyl)-

CAS Number:

10130-89-9

Molecular Formula:

C7H5ClO4S

Molecular Weight:

220.6302

MDL Number:

MFCD00007448

IUPAC Name:

4-chlorosulfonylbenzoic acid

InChI:

InChI=1S/C7H5ClO4S/c8-13(11,12)6-3-1-5(2-4-6)7(9)10/h1-4H,(H,9,10)

InChI Key:

PTCSSXYPZOFISK-UHFFFAOYSA-N

SMILES:

OC(=O)c1ccc(cc1)S(=O)(=O)Cl

EC Number:

233-367-2

Properties

Complexity:

284

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

219.96g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

220.623g/mol

Monoisotopic Mass:

219.96g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

79.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.5

Literature

Title	Journal
Activation of sulfonate ester based matrix metalloproteinase proinhibitors by hydrogen peroxide.	Journal of biological inorganic chemistry : JBIC : a publication of the Society of Biological Inorganic Chemistry 20110201
Carbonic anhydrase inhibitors: topically acting antiglaucoma sulfonamides incorporating esters and amides of 3- and 4-carboxybenzolamide.	Bioorganic & medicinal chemistry letters 20030901