Basic information
- CAS
17639-01-9- Standard SMILES
O=C(O)C(Oc1ccccc1Cl)c1ccccc1- InChIKey
RAZABXQTXNREAC-UHFFFAOYSA-N- Molecular formula
- C14H11ClO3
- Average molar mass
- 262.69 g/mol
- Monoisotopic mass
- 262.0396719
Names & identifiers
- Preferred name
- alpha-(2-Chlorophenoxy)benzeneacetic acid
- IUPAC
- 2-(2-chlorophenoxy)-2-phenylacetic acid
- English name
- 2-(2-chlorophenoxy)-2-phenylacetic acid
- Molecular formula
- C14H11ClO3
- Molecular weight
- 262.69
Names & synonyms
17639-01-9alpha-(2-Chlorophenoxy)benzeneacetic acidRefChem:1076417(o-Chlorophenoxy)phenylacetic acid2-(2-chlorophenoxy)-2-phenylacetic acid(2-chlorophenoxy)(phenyl)acetic acidBRN 2587760ACETIC ACID, (o-CHLOROPHENOXY)PHENYL-Acide (o-chlorophenoxy)phenylacetique [French]Acide (o-chlorophenoxy)phenylacetiqueSCHEMBL11794321DTXSID40938792
Show more names
Benzeneacetic acid, α-(2-chlorophenoxy)-
SBB076873STL220228AKOS000165093AKOS016050738ST45244025A1-64278
Database identifiers
- CAS
17639-01-9- PubChem CID
- 28658
- DTXSID
DTXSID40938792
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 276
Physicochemical properties
- Boiling point
- 394.6 · 394.6±27.0 °C(Predicted)
- Density
- 1.326 · 1.326±0.06 g/cm3(Predicted)
- pka
- 2.58 · 2.58±0.10(Predicted)
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers2 total
OTAVA-BB[email protected]
UKRORGSYN-BB[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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