N-[(3,4-dichlorophenyl)methoxy]-1-[4-(4-methylphenyl)sulfanyl-3-nitrophenyl]methanimine
Basic information
- CAS
477852-22-5- Standard SMILES
Cc1ccc(Sc2ccc(C=NOCc3ccc(Cl)c(Cl)c3)cc2[N+](=O)[O-])cc1- InChIKey
NYKSDEXOHXQEEK-UHFFFAOYSA-N- Molecular formula
- C21H16Cl2N2O3S
- Average molar mass
- 447.3 g/mol
Names & identifiers
- Preferred name
- N-[(3,4-dichlorophenyl)methoxy]-1-[4-(4-methylphenyl)sulfanyl-3-nitrophenyl]methanimine
- IUPAC
- N-[(3,4-dichlorophenyl)methoxy]-1-[4-(4-methylphenyl)sulfanyl-3-nitrophenyl]methanimine
- English name
- 4-[(4-Methylphenyl)sulfanyl]-3-nitrobenzenecarbaldehyde O-(3,4-dichlorobenzyl)oxime
- Molecular formula
- C21H16Cl2N2O3S
- Molecular weight
- 447.34
Names & synonyms
4-[(4-Methylphenyl)sulfanyl]-3-nitrobenzenecarbaldehyde O-(3,4-dichlorobenzyl)oximeBenzaldehyde, 4-[(4-methylphenyl)thio]-3-nitro-, O-[(3,4-dichlorophenyl)methyl]oxime(E)-[(3,4-dichlorophenyl)methoxy]({4-[(4-methylphenyl)sulfanyl]-3-nitrophenyl}methylidene)amine
Database identifiers
- CAS
477852-22-5
Properties
Computed structural properties
- XLogP
- 7
- Topological polar surface area
- 92.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 555
Physicochemical properties
- Boiling point
- 570.1 · 570.1±60.0 °C(Predicted)
- Density
- 1.34 · 1.34±0.1 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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