Basic information
- CAS
13386-09-9- Standard SMILES
O=C(Oc1ccc(=O)[nH]n1)c1ccc(Cl)c(Cl)c1- InChIKey
QPZAPFIGCNRQLL-UHFFFAOYSA-N- Molecular formula
- C11H6Cl2N2O3
- Average molar mass
- 285.08 g/mol
- Monoisotopic mass
- 283.9755474
Names & identifiers
- Preferred name
- Benzoic acid, 3,4-dichloro-, 2,3-dihydro-3-oxo-6-pyridazinyl ester
- IUPAC
- (6-oxo-1H-pyridazin-3-yl) 3,4-dichlorobenzoate
Names & synonyms
BRN 0813542BENZOIC ACID, 3,4-DICHLORO-, 2,3-DIHYDRO-3-OXO-6-PYRIDAZINYL ESTER13386-09-92,3-Dihydro-3-oxo-6-pyridazinyl 3,4-dichlorobenzoate3,4-Dichlorobenzoic acid 2,3-dihydro-3-oxo-6-pyridazinyl esterDTXSID901584035-25-01-00057 (Beilstein Handbook Reference)RefChem:327015DTXCID80808946-oxo-1,6-dihydropyridazin-3-yl 3,4-dichlorobenzoate
Database identifiers
- CAS
13386-09-9- PubChem CID
- 25936
- DTXSID
DTXSID90158403- Nikkaji
- J42.702K
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 67.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 423
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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