Basic information
- CAS
329935-70-8- Standard SMILES
Clc1ccc(N=Cc2ccc(Br)o2)cc1Cl- InChIKey
IXQDPTUEBBSYJO-UHFFFAOYSA-N- Molecular formula
- C11H6BrCl2NO
- Average molar mass
- 318.98 g/mol
- Monoisotopic mass
- 316.90098
Names & identifiers
- Preferred name
- (5-Bromo-furan-2-ylmethylene)-(3,4-dichloro-phenyl)-amine
- IUPAC
- 1-(5-bromofuran-2-yl)-N-(3,4-dichlorophenyl)methanimine
- English name
- (5-Bromo-furan-2-ylmethylene)-(3,4-dichloro-phenyl)-amine
- Molecular formula
- C11H6BrCl2NO
- Molecular weight
- 318.98
Names & synonyms
5-[(1E)-2-(3,4-dichlorophenyl)-2-azavinyl]-2-bromofuranTimTec1_000844HMS1536G08AKOS024275120ST010215(5-BROMO-FURAN-2-YLMETHYLENE)-(3,4-DICHLORO-PHENYL)-AMINEBenzenamine, N-[(5-bromo-2-furanyl)methylene]-3,4-dichloro-
Database identifiers
- CAS
329935-70-8- PubChem CID
- 690979
- EC Number
- 170-079-5
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 25.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 264
Physicochemical properties
- Boiling point
- 412.743 · 412.743±45.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.635 · 1.635±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 1.222 · 1.222±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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