Basic information
- CAS
1551243-06-1- Standard SMILES
CC(C)(C)C(C(=O)O)c1ccccc1F- InChIKey
BDIYNXYFIYSWJC-UHFFFAOYSA-N- Molecular formula
- C12H15FO2
- Average molar mass
- 210.24 g/mol
- Monoisotopic mass
- 210.10560788
Names & identifiers
- Preferred name
- 2-(2-Fluorophenyl)-3,3-dimethylbutanoic acid
- IUPAC
- 2-(2-fluorophenyl)-3,3-dimethylbutanoic acid
- English name
- Benzeneacetic acid, α-(1,1-dimethylethyl)-2-fluoro-
- Molecular formula
- C12H15FO2
- Molecular weight
- 210.24
Names & synonyms
2-(2-Fluorophenyl)-3,3-dimethylbutanoic acid1551243-06-1MFCD267235932-(2-fluorophenyl)-3,3-dimethyl-butanoic acidstarbld0008809BS-47522(2-Fluoro-phenyl)-3,3-dimethyl-butyric acid2-(2-Fluorophenyl)-3,3-dimethylbutanoicacidF75720F780907Benzeneacetic acid, alpha-(1,1-dimethylethyl)-2-fluoro-Benzeneacetic acid, α-(1,1-dimethylethyl)-2-fluoro-
Database identifiers
- CAS
1551243-06-1- PubChem CID
- 83820807
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 232
Physicochemical properties
- Boiling point
- 289.1 · 289.1±15.0 °C(Predicted)
- Density
- 1.118 · 1.118±0.06 g/cm3(Predicted)
- storage temp.
- 2 · Storage temp. 2-8°C
- pka
- 4.07 · 4.07±0.10(Predicted)
- Appearance
- White to off-white Solid
- 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
Chemistry & industry
Suppliers7 total
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海华思格医药科技有限公司13611612777 · [email protected]
西安峥鎏生物科技有限公司15594552852 · [email protected]
西安速加医药科技有限公司029-86115547 17791676824 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
Cochemical Co. Ltd.+86-029-86115547 +86-17791676824 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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