Basic information
- CAS
318261-00-6- Standard SMILES
O=C(COc1cccc(Cl)c1)N/N=C/c1ccc(OC(=O)c2ccccc2Cl)cc1- InChIKey
BMZMICRUHVIQIO-DHRITJCHSA-N- Molecular formula
- C22H16Cl2N2O4
- Average molar mass
- 443.3 g/mol
- Monoisotopic mass
- 442.0487124
Names & identifiers
- Preferred name
- 4-(2-((3-Chlorophenoxy)acetyl)carbohydrazonoyl)phenyl 2-chlorobenzoate
- IUPAC
- [4-[(E)-[[2-(3-chlorophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 2-chlorobenzoate
- English name
- 4-(2-((3-Chlorophenoxy)acetyl)carbohydrazonoyl)phenyl 2-chlorobenzoate
- Molecular formula
- C22H16Cl2N2O4
- Molecular weight
- 443.28
Names & synonyms
4-[(Z)-{2-[(3-chlorophenoxy)acetyl]hydrazinylidene}methyl]phenyl 2-chlorobenzoate4-(2-((3-CHLOROPHENOXY)ACETYL)CARBOHYDRAZONOYL)PHENYL 2-CHLOROBENZOATEBenzoic acid, 2-chloro-, 4-[[2-[2-(3-chlorophenoxy)acetyl]hydrazinylidene]methyl]phenyl ester
Database identifiers
- CAS
318261-00-6- PubChem CID
- 6322271
- EC Number
- 120-141-2
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 77 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 596
Physicochemical properties
- Density
- 1.317 · 1.317±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 11.667 · 11.667±0.46(predicted)
Chemistry & industry
Suppliers2 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
SIGMA ALDRICH IRELAND LTD[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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