Methyl 5-bromo-2,3,4-trifluorobenzoate
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Basic information
- CAS
530145-59-6- Standard SMILES
COC(=O)c1cc(Br)c(F)c(F)c1F- InChIKey
GJVMADPTUUTJOF-UHFFFAOYSA-N- Molecular formula
- C8H4BrF3O2
- Average molar mass
- 269.01 g/mol
- Monoisotopic mass
- 267.93468
Names & identifiers
- Preferred name
- Methyl 5-bromo-2,3,4-trifluorobenzoate
- IUPAC
- methyl 5-bromo-2,3,4-trifluorobenzoate
- English name
- GJVMADPTUUTJOF-UHFFFAOYSA-N
- Molecular formula
- C8H4BrF3O2
- Molecular weight
- 269.02
Names & synonyms
methyl 5-bromo-2,3,4-trifluorobenzoate530145-59-6MFCD12911527Methyl5-bromo-2,3,4-trifluorobenzoateMethyl 5-bromo-2,3,4-trifluoro-benzoateBenzoic acid, 5-bromo-2,3,4-trifluoro-, methyl esterSCHEMBL31502301AKOS023125834AT21466CS-0192587F630309GJVMADPTUUTJOF-UHFFFAOYSA-N
Show more names
methyl 3-bromo-4,5,6-trifluorobenzoate
Database identifiers
- CAS
530145-59-6- PubChem CID
- 11054691
Properties
Computed structural propertiesFilling in
- XLogP
- 2.8
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 227
Physicochemical properties
- Boiling point
- 258.8 · 258.8±40.0 °C(Predicted)
- Density
- 1.722 · 1.722±0.06 g/cm3(Predicted)
- HS Code
- 2916399090 · 2916399090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2916399090
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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