Basic information
- CAS
1803833-41-1- Standard SMILES
COC(=O)c1c(C)cc(F)cc1F- InChIKey
LJUVVRGAWFGIRE-UHFFFAOYSA-N- Molecular formula
- C9H8F2O2
- Average molar mass
- 186.15 g/mol
- Monoisotopic mass
- 186.04923582
Names & identifiers
- Preferred name
- Methyl 2,4-difluoro-6-methylbenzoate
- IUPAC
- methyl 2,4-difluoro-6-methylbenzoate
- English name
- Methyl 2,4-difluoro-6-methylbenzoate
- Molecular formula
- C9H8F2O2
- Molecular weight
- 186.16
Names & synonyms
Methyl 2,4-difluoro-6-methylbenzoate1803833-41-1Benzoic acid, 2,4-difluoro-6-methyl-, methyl ester
Database identifiers
- CAS
1803833-41-1- PubChem CID
- 121228529
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 196
Physicochemical properties
- Boiling point
- 215.1 · 215.1±40.0 °C(Predicted)
- Density
- 1.224 · 1.224±0.06 g/cm3(Predicted)
Chemistry & industry
Suppliers6 total
济南百隆化学有限公司[email protected] · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
Allfluoro Pharmaceutical Company Limited+86-400-0216110 +86-15958047586 · [email protected]
温州共赢化学有限公司0577-64498589 15325081899 · [email protected]
常州安赛普化工有限公司0519-86305871 · [email protected]
北京珐默兹医药科技有限公司15811073878 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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