Basic information
- CAS
37940-65-1- Standard SMILES
O=C(O)c1ccc(S(=O)(=O)c2ccc(Cl)cc2)cc1- InChIKey
MIVYLPYNSKNBPW-UHFFFAOYSA-N- Molecular formula
- C13H9ClO4S
- Average molar mass
- 296.73 g/mol
- Monoisotopic mass
- 295.9910076
Names & identifiers
- Preferred name
- 4-[(4-Chlorophenyl)sulfonyl]benzoic acid
- IUPAC
- 4-(4-chlorophenyl)sulfonylbenzoic acid
- English name
- 4-[(4-Chlorophenyl)sulfonyl]benzoic acid
- Molecular formula
- C13H9ClO4S
- Molecular weight
- 296.73
Names & synonyms
37940-65-14-[(4-Chlorophenyl)sulfonyl]benzoic acid4-((4-Chlorophenyl)sulfonyl)benzoic acid4-Chloro-4'-carboxydiphenyl sulfoneBenzoic acid, 4-[(4-chlorophenyl)sulfonyl]-NSC 43052NSC43052ChemDiv3_003229SCHEMBL6902193DTXSID10285866MIVYLPYNSKNBPW-UHFFFAOYSA-NHMS1482C17
Show more names
NSC-43052AKOS001663251IDI1_021139DA-218224-(4-Chlorobenzene-1-sulfonyl)benzoic acid4-[(4-Chlorophenyl)sulfonyl]benzoic acid #EU-0078056SR-01000110602
Database identifiers
- CAS
37940-65-1- PubChem CID
- 238596
- DTXSID
DTXSID10285866- Nikkaji
- J124.134F
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 79.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 412
Physicochemical properties
- Melting point
- 274.1 · 274.1-275.3 °C
- Boiling point
- 506.3 · 506.3±35.0 °C(Predicted)
- Density
- 1.466 · 1.466±0.06 g/cm3(Predicted)
- pka
- 3.36 · 3.36±0.10(Predicted)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers1 total
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Related reactions
0 records
No reaction records under the current filter.
Compound notes
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