2-(7-(Trifluoromethyl)chroman-4-yl)acetic acid
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Basic information
- CAS
1121583-64-9- Standard SMILES
O=C(O)CC1CCOc2cc(C(F)(F)F)ccc21- InChIKey
WUQVTWDPKYDLGG-UHFFFAOYSA-N- Molecular formula
- C12H11F3O3
- Average molar mass
- 260.21 g/mol
- Monoisotopic mass
- 260.06602869
Names & identifiers
- Preferred name
- 2-(7-(Trifluoromethyl)chroman-4-yl)acetic acid
- IUPAC
- 2-[7-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]acetic acid
- English name
- 3,4-Dihydro-7-(trifluoromethyl)-2H-1-Benzopyran-4-acetic acid
- Molecular formula
- C12H11F3O3
- Molecular weight
- 260.2091496
Names & synonyms
2-(7-(trifluoromethyl)chroman-4-yl)acetic acid1121583-64-92-[7-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]acetic acid2-[7-(Trifluoromethyl)chroman-4-yl]acetic acid2-(7-(Trifluoromethyl)chroman-4-yl)aceticacidDTXSID80676469WUQVTWDPKYDLGG-UHFFFAOYSA-N3,4-Dihydro-7-(trifluoromethyl)-2H-1-benzopyran-4-acetic acidAKOS015856285DB-000795[7-(TRIFLUOROMETHYL)-3,4-DIHYDRO-2H-1-BENZOPYRAN-4-YL]ACETIC ACID
Database identifiers
- CAS
1121583-64-9- PubChem CID
- 46835554
- DTXSID
DTXSID80676469
Properties
Computed structural propertiesFilling in
- XLogP
- 2.5
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 316
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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