1-Bromo-6-(trifluoromethyl)phenanthrene-9-carboxylic acid
Basic information
- CAS
38635-72-2- Standard SMILES
O=C(O)c1cc2c(Br)cccc2c2cc(C(F)(F)F)ccc12- InChIKey
MGPCCWAAJQDKQW-UHFFFAOYSA-N- Molecular formula
- C16H8BrF3O2
- Average molar mass
- 369.13 g/mol
- Monoisotopic mass
- 367.96598
Names & identifiers
- Preferred name
- 1-Bromo-6-(trifluoromethyl)phenanthrene-9-carboxylic acid
- IUPAC
- 1-bromo-6-(trifluoromethyl)phenanthrene-9-carboxylic acid
Names & synonyms
38635-72-21-bromo-6-(trifluoromethyl)phenanthrene-9-carboxylic acidNSC152058DTXSID10302603NSC-152058
Database identifiers
- CAS
38635-72-2- PubChem CID
- 289798
- DTXSID
DTXSID10302603
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 440
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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