Methyl 2-fluoro-5-hydroxy-4-methylbenzoate
Basic information
- CAS
1378655-77-6- Standard SMILES
COC(=O)c1cc(O)c(C)cc1F- InChIKey
JKTMRPAVQROBKG-UHFFFAOYSA-N- Molecular formula
- C9H9FO3
- Average molar mass
- 184.16 g/mol
- Monoisotopic mass
- 184.05357231
Names & identifiers
- Preferred name
- Methyl 2-fluoro-5-hydroxy-4-methylbenzoate
- IUPAC
- methyl 2-fluoro-5-hydroxy-4-methylbenzoate
- English name
- Benzoic acid, 2-fluoro-5-hydroxy-4-Methyl-, Methylester
- Molecular formula
- C9H9FO3
- Molecular weight
- 184.16
Names & synonyms
Methyl 2-fluoro-5-hydroxy-4-methylbenzoate1378655-77-6MFCD194402722-Fluoro-5-hydroxy-4-methyl-benzoic acid methyl esterMethyl2-fluoro-5-hydroxy-4-methylbenzoateMETHYL 2-FLUORO-4-METHYL-5-HYDROXYBENZOATEBenzoic acid, 2-fluoro-5-hydroxy-4-methyl-, methyl estermethy 2-fluoro-5-hydroxy-4-methyl benezoatemethyl 2-fluoro-5-hydroxy-4-methyl-benzoateSCHEMBL17185155Benzoic acid, 2-fluoro-5-hydroxy-4-Methyl-, MethylesterDTXSID40743909
Show more names
AKOS016007405SB33211AS-30486SY240858DB-334783Methyl 5-hydroxy-2-fluoro-4-methylbenzoateCS-0131219F234365
Database identifiers
- CAS
1378655-77-6- PubChem CID
- 70701136
- DTXSID
DTXSID40743909
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 195
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319
- Precautionary statements
- 261 · P261-P305+P351+P338
- HS Code
- 2918290090 · 2918290090
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
- 2918290090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319
- Precautionary statements
- P261-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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