Basic information
- CAS
56919-12-1- Standard SMILES
Cc1ccc(Cl)c(S(=O)(=O)O)c1- InChIKey
ZZKWWRXVSXCBIU-UHFFFAOYSA-N- Molecular formula
- C7H7ClO3S
- Average molar mass
- 206.65 g/mol
- Monoisotopic mass
- 205.98044276
Names & identifiers
- Preferred name
- 4-Chlorotoluene-3-sulphonic acid
- IUPAC
- 2-chloro-5-methylbenzenesulfonic acid
- English name
- 4-chlorotoluene-3-sulphonic acid
- Molecular formula
- C7H7ClO3S
- Molecular weight
- 206.64668
Names & synonyms
4-Chlorotoluene-3-sulphonic acid56919-12-1EINECS 260-434-32-chloro-5-methylbenzene-1-sulfonic acidSCHEMBL4208848DTXSID10205463ZZKWWRXVSXCBIU-UHFFFAOYSA-NKEA17037DB-305915NS000336022-Chloro-5-methylbenzenesulfonic acid
Database identifiers
- CAS
56919-12-1- PubChem CID
- 92567
- DTXSID
DTXSID10205463- EC Number
- 260-434-3
- Nikkaji
- J267.134D
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 62.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 244
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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