Basic information
- CAS
1805119-74-7- Standard SMILES
OCc1cc(Cl)cc(Br)c1Cl- InChIKey
HDFQKWVHMUFHJI-UHFFFAOYSA-N- Molecular formula
- C7H5BrCl2O
- Average molar mass
- 255.92 g/mol
- Monoisotopic mass
- 253.89008
Names & identifiers
- Preferred name
- 3-Bromo-2,5-dichlorobenzyl alcohol
- IUPAC
- (3-bromo-2,5-dichlorophenyl)methanol
- English name
- 3-Bromo-2,5-dichlorobenzyl alcohol
- Molecular formula
- C7H5BrCl2O
- Molecular weight
- 255.92
Names & synonyms
3-Bromo-2,5-dichlorobenzyl alcohol1805119-74-7(3-Bromo-2,5-dichlorophenyl)methanolMFCD28737835(3-bromo-2,5-dichloro-phenyl)methanolCS-0193688E93668Benzenemethanol, 3-bromo-2,5-dichloro-
Database identifiers
- CAS
1805119-74-7- PubChem CID
- 121591486
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 134
Physicochemical properties
- Boiling point
- 331.2 · 331.2±37.0 °C(Predicted)
- Density
- 1.785 · 1.785±0.06 g/cm3(Predicted)
- pka
- 13.39 · 13.39±0.10(Predicted)
Chemistry & industry
Suppliers5 total
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
南京代盟化工有限公司025-66800956 18800000000 · [email protected]
上海平果医药科技有限公司021-20432229 · [email protected]
河南阿尔法化工有限公司0371-55055611 18137792234 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…