Basic information
- CAS
229-72-1- Standard SMILES
c1ccc2c(c1)ccc1cnncc12- InChIKey
CYZQUDGGSNLUBU-UHFFFAOYSA-N- Molecular formula
- C12H8N2
- Average molar mass
- 180.2 g/mol
- Monoisotopic mass
- 180.06874826
Names & identifiers
- Preferred name
- Benzo[f]phthalazine
- IUPAC
- benzo[f]phthalazine
Names & synonyms
Benzo[f]phthalazine229-72-1Benzo(f)phthalazin2,3-DiazaphenanthreneBenzo[f]phthalazine #SCHEMBL2407872SCHEMBL19971916SCHEMBL29350993DTXSID90345119CYZQUDGGSNLUBU-UHFFFAOYSA-N
Database identifiers
- CAS
229-72-1- PubChem CID
- 601985
- DTXSID
DTXSID90345119- Nikkaji
- J3.141.148C
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 25.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 204
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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