Basic information
- CAS
170568-98-6- Standard SMILES
Clc1nc2ccccc2cc1C=Nc1ccc(Br)cc1- InChIKey
HDCJWJQJWCCOFW-UHFFFAOYSA-N- Molecular formula
- C16H10BrClN2
- Average molar mass
- 345.62 g/mol
- Monoisotopic mass
- 343.97159
Names & identifiers
- Preferred name
- (4-Bromo-phenyl)-(2-chloro-quinolin-3-ylmethylene)-amine
- IUPAC
- N-(4-bromophenyl)-1-(2-chloroquinolin-3-yl)methanimine
- English name
- (4-Bromo-phenyl)-(2-chloro-quinolin-3-ylmethylene)-amine
- Molecular formula
- C16H10BrClN2
- Molecular weight
- 345.62
Names & synonyms
3-[(1E)-2-(4-bromophenyl)-2-azavinyl]-2-chloroquinolineAKOS024275193ST010412(4-BROMO-PHENYL)-(2-CHLORO-QUINOLIN-3-YLMETHYLENE)-AMINEBenzenamine, 4-bromo-N-[(2-chloro-3-quinolinyl)methylene]-
Database identifiers
- CAS
170568-98-6- PubChem CID
- 710261
- EC Number
- 167-748-9
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 25.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 341
Physicochemical properties
- Melting point
- 220 · 220-221 °C
- Boiling point
- 487.362 · 487.362±40.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.465 · 1.465±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 1.783 · 1.783±0.50(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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