Basic information
- CAS
478039-16-6- Standard SMILES
NNC(=O)c1c(OCc2ccc(Cl)cc2Cl)cccc1C(=O)C1(C(=O)O)CC=CCC1C(=O)O- InChIKey
KDZYORAQFWKHIJ-UHFFFAOYSA-N- Molecular formula
- C23H20Cl2N2O7
- Average molar mass
- 507.3 g/mol
Names & identifiers
- Preferred name
- 6-[({3-[(2,4-Dichlorophenyl)methoxy]phenyl}formohydrazido)carbonyl]cyclohex-3-ene-1-carboxylicacid
- IUPAC
- 1-[3-[(2,4-dichlorophenyl)methoxy]-2-(hydrazinecarbonyl)benzoyl]cyclohex-4-ene-1,2-dicarboxylic acid
- English name
- 6-[(2-(3-[(2,4-Dichlorobenzyl)oxy]benzoyl)hydrazino)carbonyl]-3-cyclohexene-1-carboxylic acid
- Molecular formula
- C22H20Cl2N2O5
- Molecular weight
- 463.31
Names & synonyms
6-[({3-[(2,4-dichlorophenyl)methoxy]phenyl}formohydrazido)carbonyl]cyclohex-3-ene-1-carboxylicacid4-Cyclohexene-1,2-dicarboxylic acid, 1-[2-[3-[(2,4-dichlorophenyl)methoxy]benzoyl]hydrazide]6-[(2-(3-[(2,4-Dichlorobenzyl)oxy]benzoyl)hydrazino)carbonyl]-3-cyclohexene-1-carboxylic acid6-[({3-[(2,4-dichlorophenyl)methoxy]phenyl}formohydrazido)carbonyl]cyclohex-3-ene-1-carboxylic acid
Database identifiers
- CAS
478039-16-6
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 156 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 8
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 838
Chemistry & industry
Suppliers3 total
Ryan Scientific, Inc.[email protected]
Key Organics Ltd.[email protected]
BIONET-INTER[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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