Basic information
- CAS
1261647-11-3- Standard SMILES
COc1cc(CC(=O)O)cc(OC(F)(F)F)c1- InChIKey
WWBPHPYEDAYIEW-UHFFFAOYSA-N- Molecular formula
- C10H9F3O4
- Average molar mass
- 250.17 g/mol
Names & identifiers
- Preferred name
- 2-(3-Methoxy-5-(trifluoromethoxy)phenyl)acetic acid
- IUPAC
- 2-[3-methoxy-5-(trifluoromethoxy)phenyl]acetic acid
- English name
- 2-(Methoxy)-5-(trifluoromethoxy)phenylacetic acid
- Molecular formula
- C10H9F3O4
- Molecular weight
- 250.17
Names & synonyms
2-(3-Methoxy-5-(trifluoromethoxy)phenyl)acetic acid2-[3-Methoxy-5-(trifluoromethoxy)phenyl]acetic acidSCHEMBL15728088WWBPHPYEDAYIEW-UHFFFAOYSA-NRARECHEM AL BO 10603-TRIFLUOROMETHOXY-6-METHOXYPHENYLACETIC ACID3-Methoxy-5-(trifluoromethoxy)benzeneacetic acid2-(Methoxy)-5-(trifluoromethoxy)phenylacetic acid2-(2-Methoxy-5-(trifluoromethoxy)phenyl)acetic acidBenzeneacetic acid, 3-methoxy-5-(trifluoromethoxy)-
Database identifiers
- CAS
1261647-11-3
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 267
Physicochemical properties
- Boiling point
- 309.4 · 309.4±37.0 °C(Predicted)
- Density
- 1.38 · 1.380±0.06 g/cm3(Predicted)
- pka
- 3.99 · 3.99±0.10(Predicted)
- 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
Chemistry & industry
Suppliers1 total
常州合晶化工有限公司85528066 13775048983 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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