3-Fluoro-5-(propan-2-yloxy)benzoic acid
Basic information
- CAS
1369879-36-6- Standard SMILES
CC(C)Oc1cc(F)cc(C(=O)O)c1- InChIKey
ZISGXTRJTFOPAD-UHFFFAOYSA-N- Molecular formula
- C10H11FO3
- Average molar mass
- 198.19 g/mol
Names & identifiers
- Preferred name
- 3-Fluoro-5-(propan-2-yloxy)benzoic acid
- IUPAC
- 3-fluoro-5-propan-2-yloxybenzoic acid
- English name
- 3-Fluoro-5-(propan-2-yloxy)benzoic acid
- Molecular formula
- C10H11FO3
- Molecular weight
- 198.19
Names & synonyms
3-fluoro-5-(propan-2-yloxy)benzoic acid1369879-36-63-Fluoro-5-isopropoxybenzoic acid3-fluoro-5-propan-2-yloxybenzoic acidMFCD28356762SCHEMBL183112433-fluoro-5-isopropoxy-benzoic acidCS-0190249E93456F628276A1-12051Benzoic acid, 3-fluoro-5-(1-methylethoxy)-
Database identifiers
- CAS
1369879-36-6
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 206
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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