5,8-Quinazolinedione, 6,7-dichloro-
Basic information
- CAS
102072-83-3- Standard SMILES
O=C1C(Cl)=C(Cl)C(=O)c2ncncc21- InChIKey
RLWGCMZFKSBELN-UHFFFAOYSA-N- Molecular formula
- C8H2Cl2N2O2
- Average molar mass
- 229.02 g/mol
- Monoisotopic mass
- 227.9493327
Names & identifiers
- Preferred name
- 5,8-Quinazolinedione, 6,7-dichloro-
- IUPAC
- 6,7-dichloroquinazoline-5,8-dione
Names & synonyms
6,7-Dichloro-5,8-quinazolinedione5,8-Quinazolinedione, 6,7-dichloro-102072-83-3DTXSID50144625RefChem:298980DTXCID7067116CHEMBL1287646,7-dichloroquinazoline-5,8-dione6,7-Dichloro-quinazoline-5,8-dioneBDBM50106507
Database identifiers
- CAS
102072-83-3- PubChem CID
- 149160
- DTXSID
DTXSID50144625- ChEMBL
CHEMBL128764- Nikkaji
- J1.659.399K
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 59.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 340
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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