Basic information
- CAS
1785505-25-0- Standard SMILES
COc1cc(Cl)cc(O)c1F- InChIKey
AEGAJRNGTHEBGT-UHFFFAOYSA-N- Molecular formula
- C7H6ClFO2
- Average molar mass
- 176.57 g/mol
- Monoisotopic mass
- 176.0040353
Names & identifiers
- Preferred name
- 5-Chloro-2-fluoro-3-methoxyphenol
- IUPAC
- 5-chloro-2-fluoro-3-methoxyphenol
- English name
- Phenol, 5-chloro-2-fluoro-3-methoxy-
- Molecular formula
- C7H6ClFO2
- Molecular weight
- 176.57
Names & synonyms
5-CHLORO-2-FLUORO-3-METHOXYPHENOL1785505-25-0E93579Phenol, 5-chloro-2-fluoro-3-methoxy-
Database identifiers
- CAS
1785505-25-0- PubChem CID
- 84655767
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 134
Physicochemical properties
- Boiling point
- 256.3 · 256.3±35.0 °C(Predicted)
- Density
- 1.379 · 1.379±0.06 g/cm3(Predicted)
- pka
- 7.37 · 7.37±0.15(Predicted)
Chemistry & industry
Suppliers6 total
杭州鸿喜生物医药科技有限公司18989489206 · [email protected]
安徽合诺生物科技有限公司0555-2761852
安徽合诺生物科技有限公司18455579438
南京代盟化工有限公司02566880956 · [email protected]
杭州博洛科生物科技有限公司13757158499; 13757158499 · [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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