Basic information
- CAS
102878-14-8- Standard SMILES
O=S(=O)(O)c1ccc2cc(Cl)ccc2c1- InChIKey
ONLHWRHIJDODKO-UHFFFAOYSA-N- Molecular formula
- C10H7ClO3S
- Average molar mass
- 242.68 g/mol
- Monoisotopic mass
- 241.98044276
Names & identifiers
- Preferred name
- 6-chloronaphthalene-2-sulfonic Acid
- IUPAC
- 6-chloronaphthalene-2-sulfonic acid
- English name
- 6-Chloronaphthalene-2-sulfonic acid
- Molecular formula
- C10H7ClO3S
- Molecular weight
- 242.68
Names & synonyms
6-chloronaphthalene-2-sulfonic Acid102878-14-82-Naphthalenesulfonic acid, 6-chloro-6-Chloro-2-naphthalenesulfonic acidSCHEMBL3874186DTXSID40434209ONLHWRHIJDODKO-UHFFFAOYSA-N6-chloro-2-naphthalenesulphonic acidAKOS027381772DB-113960
Database identifiers
- CAS
102878-14-8- PubChem CID
- 10014647
- DTXSID
DTXSID40434209- Nikkaji
- J2.501.502I
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 62.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 322
Physicochemical properties
- Density
- 1.533 · 1.533±0.06 g/cm3(Predicted)
- pka
- 0.13 · 0.13±0.40(Predicted)
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers3 total
Allfluoro Pharmaceutical Company Limited+86-400-0216110 +86-15958047586 · [email protected]
凯试（上海）科技有限公司021-50135380 · [email protected]
上海奥晨生物医药科技有限公司13917627064 · [email protected]
Related reactions
8 records
Compound notes
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