Benzene-1,4-diamine; 2,3,5,6-tetrachlorocyclohexa-2,5-diene-1,4-dione
Basic information
- CAS
5976-49-8- Standard SMILES
Nc1ccc(N)cc1.O=C1C(Cl)=C(Cl)C(=O)C(Cl)=C1Cl- InChIKey
VXABSRYXAADKLL-UHFFFAOYSA-N- Molecular formula
- C12H8Cl4N2O2
- Average molar mass
- 354 g/mol
- Monoisotopic mass
- 351.933988
Names & identifiers
- Preferred name
- Benzene-1,4-diamine; 2,3,5,6-tetrachlorocyclohexa-2,5-diene-1,4-dione
- IUPAC
- benzene-1,4-diamine;2,3,5,6-tetrachlorocyclohexa-2,5-diene-1,4-dione
Names & synonyms
5976-49-8NSC68473benzene-1,4-diamine; 2,3,5,6-tetrachlorocyclohexa-2,5-diene-1,4-dioneDTXSID00290404NSC-684732,3,5,6-Tetrachlorocyclohexa-2,5-diene-1,4-dione--benzene-1,4-diamine (1/1)
Database identifiers
- CAS
5976-49-8- PubChem CID
- 249781
- DTXSID
DTXSID00290404
Properties
Computed structural properties
- Topological polar surface area
- 86.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 332
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Related reactions
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Compound notes
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