Basic information
- CAS
88812-64-0- Standard SMILES
Cc1cc(N=Cc2cc(Cl)ccc2O)no1- InChIKey
UOBWJNQHWHRQTA-UHFFFAOYSA-N- Molecular formula
- C11H9ClN2O2
- Average molar mass
- 236.65 g/mol
- Monoisotopic mass
- 236.0352552
Names & identifiers
- Preferred name
- 4-Chloro-2-(((5-methyl-3-isoxazolyl)imino)methyl)phenol
- IUPAC
- 4-chloro-2-[(5-methyl-1,2-oxazol-3-yl)iminomethyl]phenol
- English name
- 4-chloro-2-{[(5-methyl-3-isoxazolyl)imino]methyl}phenol
- Molecular formula
- C11H9ClN2O2
- Molecular weight
- 236.65
Names & synonyms
4-CHLORO-2-(((5-METHYL-3-ISOXAZOLYL)IMINO)METHYL)PHENOL4-chloro-2-{[(5-methyl-3-isoxazolyl)imino]methyl}phenolSMR000103085Oprea1_607153Oprea1_614301MLS000106115CHEMBL3212383HMS2434A09AKOS000671362ST50237000AG-690/114819423-(2-hydroxy-5-chloro-benzylideneamino)-5-methylisoxazole
Show more names
4-chloro-2-[(5-methyl-1,2-oxazol-3-yl)iminomethyl]phenol2-[(1E)-2-(5-methylisoxazol-3-yl)-2-azavinyl]-4-chlorophenol
Database identifiers
- CAS
88812-64-0- PubChem CID
- 779999
- ChEMBL
CHEMBL3212383- EC Number
- 119-689-5
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 58.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 262
Physicochemical properties
- Melting point
- 93 · 93-95 °C(Solvent: Ligroine)
- Boiling point
- 437.849 · 437.849±45.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.358 · 1.358±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 7.848 · 7.848±0.48(predicted)
Chemistry & industry
Suppliers2 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…