Basic information
- CAS
64712-94-3- Standard SMILES
Clc1ccccc1N/N=c1\nnc2c(Cl)cccc2s1- InChIKey
KQUJNUMWDJJJLP-QGOAFFKASA-N- Molecular formula
- C13H8Cl2N4S
- Average molar mass
- 323.2 g/mol
- Monoisotopic mass
- 321.9846728
Names & identifiers
- Preferred name
- 2-chloro-N-[(E)-(8-chloro-4,1,2-benzothiadiazin-3-ylidene)amino]aniline
- IUPAC
- 2-chloro-N-[(E)-(8-chloro-4,1,2-benzothiadiazin-3-ylidene)amino]aniline
Names & synonyms
NSC35310764712-94-3DTXSID30421683NSC-353107(3E)-8-Chloro-3-[2-(2-chlorophenyl)hydrazinylidene]-3H-4,1,2-benzothiadiazine
Database identifiers
- CAS
64712-94-3- PubChem CID
- 5992147
- DTXSID
DTXSID30421683
Properties
Computed structural properties
- XLogP
- 5.9
- Topological polar surface area
- 74.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 404
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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