4,7-Dichloro-1,2,3-benzothiadiazole
Basic information
- CAS
23616-14-0- Standard SMILES
Clc1ccc(Cl)c2snnc12- InChIKey
DIVMDGZJKZFXPO-UHFFFAOYSA-N- Molecular formula
- C6H2Cl2N2S
- Average molar mass
- 205.06 g/mol
- Monoisotopic mass
- 203.9315746
Names & identifiers
- Preferred name
- 4,7-Dichloro-1,2,3-benzothiadiazole
- IUPAC
- 4,7-dichloro-1,2,3-benzothiadiazole
- English name
- 4,7-dichloro-1,2,3-benzothiadiazole
- Molecular formula
- C6H2Cl2N2S
- Molecular weight
- 205.06
Names & synonyms
4,7-Dichloro-1,2,3-benzothiadiazole23616-14-0EINECS 245-786-8DTXSID50178288RefChem:96718DTXCID80100779245-786-8SCHEMBL16265331DIVMDGZJKZFXPO-UHFFFAOYSA-N4,7-Dichlorobenzo[d][1,2,3]thiadiazoleNS000274631,2,3-Benzothiadiazole, 4,7-dichloro-
Database identifiers
- CAS
23616-14-0- PubChem CID
- 90213
- DTXSID
DTXSID50178288- EC Number
- 245-786-8
- Nikkaji
- J229.022G
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 54 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 158
Physicochemical properties
- Boiling point
- 295.7 · 295.7±43.0 °C(Predicted)
- Density
- 1.662 · 1.662±0.06 g/cm3(Predicted)
- pka
- -4.54 · -4.54±0.50(Predicted)
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Compound notes
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