Basic information
- CAS
102072-85-5- Standard SMILES
O=C1C(Cl)=C(Cl)C(=O)c2cnncc21- InChIKey
UUBDFUMHESGMLX-UHFFFAOYSA-N- Molecular formula
- C8H2Cl2N2O2
- Average molar mass
- 229.02 g/mol
- Monoisotopic mass
- 227.9493327
Overview
structure in first source
Names & identifiers
- Preferred name
- 6,7-Dichloro-5,8-phthalazinedione
- IUPAC
- 6,7-dichlorophthalazine-5,8-dione
Names & synonyms
102072-85-56,7-Dichloro-5,8-phthalazinedione5,8-Phthalazinedione, 6,7-dichloro-DTXSID10144626RefChem:103809DTXCID20671176,7-dichlorophthalazine-5,8-dioneCHEMBL1323246,7-Dichloro-phthalazine-5,8-dione6,7-dichloro-5,8-dihydrophthalazine-5,8-dioneSCHEMBL5400077BDBM50106496
Show more names
EBC-06542DA 3044EN300-1662350
Database identifiers
- CAS
102072-85-5- PubChem CID
- 149161
- DTXSID
DTXSID10144626- ChEMBL
CHEMBL132324- Nikkaji
- J515.862A
Properties
Computed structural properties
- XLogP
- 1
- 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
- 308
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…