5-(3,4-Difluorophenyl)-3-methyl-5-oxopentanoic acid
Basic information
- CAS
845781-43-3- Standard SMILES
CC(CC(=O)O)CC(=O)c1ccc(F)c(F)c1- InChIKey
LHFALPXBGLCWGZ-UHFFFAOYSA-N- Molecular formula
- C12H12F2O3
- Average molar mass
- 242.22 g/mol
- Monoisotopic mass
- 242.07545056
Names & identifiers
- Preferred name
- 5-(3,4-Difluorophenyl)-3-methyl-5-oxopentanoic acid
- IUPAC
- 5-(3,4-difluorophenyl)-3-methyl-5-oxopentanoic acid
- English name
- 5-(3,4-DIFLUOROPHENYL)-3-METHYL-5-OXOVALERIC ACID
- Molecular formula
- C12H12F2O3
- Molecular weight
- 242.22
Names & synonyms
5-(3,4-difluorophenyl)-3-methyl-5-oxopentanoic acid5-(3,4-Difluorophenyl)-3-methyl-5-oxovaleric acid845781-43-3MFCD062016705-(3,4-difluorophenyl)-3-methyl-5-oxo-pentanoic AcidAKOS006168015F0229295-(3,4-difluorophenyl)-3-methyl-5-oxopentanoicacid
Database identifiers
- CAS
845781-43-3- PubChem CID
- 2758334
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 54.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 293
Physicochemical properties
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36/37/39
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
- risk_code
- 36/37/38
- safety_code
- 26-36/37/39
Suppliers
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Related reactions
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Compound notes
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