2-(4-Fluoro-3-methylphenyl)-2-methylpropanoic acid
Basic information
- CAS
1250140-56-7- Standard SMILES
Cc1cc(C(C)(C)C(=O)O)ccc1F- InChIKey
RILHNSGERUADSQ-UHFFFAOYSA-N- Molecular formula
- C11H13FO2
- Average molar mass
- 196.22 g/mol
- Monoisotopic mass
- 196.08995782
Names & identifiers
- Preferred name
- 2-(4-Fluoro-3-methylphenyl)-2-methylpropanoic acid
- IUPAC
- 2-(4-fluoro-3-methylphenyl)-2-methylpropanoic acid
Names & synonyms
1250140-56-72-(4-fluoro-3-methylphenyl)-2-methylpropanoic acidRefChem:457641854-614-62-(4-fluoro-3-methylphenyl)-2-methylpropanoicacidSCHEMBL31560868AAC14056AKOS011681255EN300-1137906Z982130548
Database identifiers
- CAS
1250140-56-7- PubChem CID
- 62394151
- EC Number
- 854-614-6
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 225
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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