Basic information
- CAS
1780721-85-8- Standard SMILES
Cc1cc(Cl)c(Br)cc1O- InChIKey
CPERHEJILHOKHP-UHFFFAOYSA-N- Molecular formula
- C7H6BrClO
- Average molar mass
- 221.48 g/mol
Names & identifiers
- Preferred name
- 5-Bromo-4-chloro-2-methylphenol
- IUPAC
- 5-bromo-4-chloro-2-methylphenol
- English name
- 5-Bromo-4-chloro-2-methyl-phenol
- Molecular formula
- C7H6BrClO
- Molecular weight
- 221.48
Names & synonyms
5-bromo-4-chloro-2-methylphenol1780721-85-8SCHEMBL232397005-Bromo-4-chloro-2-methyl-phenolMFCD31672676Phenol, 5-bromo-4-chloro-2-methyl-
Database identifiers
- CAS
1780721-85-8
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 120
Physicochemical properties
- Boiling point
- 288.8 · 288.8±35.0 °C(Predicted)
- Density
- 1.674 · 1.674±0.06 g/cm3(Predicted)
- pka
- 8.92 · 8.92±0.23(Predicted)
Chemistry & industry
Suppliers5 total
苏州亚衍医药科技有限公司17715136450 · [email protected]
西安速加医药科技有限公司029-86115547 17791676824 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
Cochemical Co. Ltd.+86-029-86115547 +86-17791676824 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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