Basic information
- CAS
79712-61-1- Standard SMILES
O=C(O)c1nn(-c2ccc(Cl)cc2)c2c1C(=O)c1ccccc1C2=O- InChIKey
LUFJOPHUENGNNB-UHFFFAOYSA-N- Molecular formula
- C18H9ClN2O4
- Average molar mass
- 352.7 g/mol
- Monoisotopic mass
- 352.0250845
Names & identifiers
- Preferred name
- 1-(4-chlorophenyl)-4,9-dioxo-4,9-dihydro-1H-benzo[f]indazole-3-carboxylic acid
- IUPAC
- 1-(4-chlorophenyl)-4,9-dioxobenzo[f]indazole-3-carboxylic acid
Names & synonyms
NSC36049479712-61-1NSC-3604941-(4-chlorophenyl)-4,9-dioxo-4,9-dihydro-1H-benzo[f]indazole-3-carboxylic acidNCIStruc1_001741NCIStruc2_001955CHEMBL1478627DTXSID70320505CCG-36981NCGC00014822NCI360494NCGC00014822-02
Show more names
NCGC00097923-01NCI60_0032871-(4-chlorophenyl)-4,9-dioxo-benzo[f]indazole-3-carboxylic acid1H-Benz[f]indazole-3-carboxylic acid, 1-(4-chlorophenyl)-4,9-dihydro-4,9-dioxo-
Database identifiers
- CAS
79712-61-1- PubChem CID
- 338385
- DTXSID
DTXSID70320505- ChEMBL
CHEMBL1478627
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 89.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 590
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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