Basic information
- CAS
102567-31-7- Standard SMILES
N#Cc1c(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)nn(CCC(=O)O)c1=O- InChIKey
ITBKPLJFKUNKSA-UHFFFAOYSA-N- Molecular formula
- C20H13Cl2N3O3
- Average molar mass
- 414.2 g/mol
- Monoisotopic mass
- 413.0333967
Names & identifiers
- Preferred name
- 1(6H)-Pyridazinepropanoic acid, 3,4-bis(4-chlorophenyl)-5-cyano-6-oxo-
- IUPAC
- 3-[3,4-bis(4-chlorophenyl)-5-cyano-6-oxopyridazin-1-yl]propanoic acid
Names & synonyms
102567-31-71(6H)-Pyridazinepropanoic acid, 3,4-bis(4-chlorophenyl)-5-cyano-6-oxo-3-(3,4-Bis(4-chlorophenyl)-5-cyano-6-oxopyridazin-1(6H)-yl)propanoic acid3-[3,4-Bis(4-chlorophenyl)-5-cyano-6-oxopyridazin-1(6H)-yl]propanoic acidNSC602744DTXSID901452723,4-Bis(4-chlorophenyl)-5-cyano-6-oxo-1(6H)-pyridazinepropanoic acidNSC-602744
Database identifiers
- CAS
102567-31-7- PubChem CID
- 149121
- DTXSID
DTXSID90145272
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 93.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 739
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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