9,10-Dibromo-9,10-dihydrophenanthrene-1-carboxylic acid
Basic information
- CAS
26687-68-3- Standard SMILES
O=C(O)c1cccc2c1C(Br)C(Br)c1ccccc1-2- InChIKey
DTEGOPXOPWQGCJ-UHFFFAOYSA-N- Molecular formula
- C15H10Br2O2
- Average molar mass
- 382.05 g/mol
- Monoisotopic mass
- 379.90475
Names & identifiers
- Preferred name
- 9,10-Dibromo-9,10-dihydrophenanthrene-1-carboxylic acid
- IUPAC
- 9,10-dibromo-9,10-dihydrophenanthrene-1-carboxylic acid
Names & synonyms
9,10-Dibromo-9,10-dihydrophenanthrene-1-carboxylic acid26687-68-3NSC1413371-Phenanthrenecarboxylicacid, 9,10-dibromo-9,10-dihydro-DTXSID90301134DTEGOPXOPWQGCJ-UHFFFAOYSA-NNSC-141337DS-0031449,10-Dibromo-9,10-dihydro-1-phenanthrenecarboxylic acid #
Database identifiers
- CAS
26687-68-3- PubChem CID
- 284940
- DTXSID
DTXSID90301134
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 360
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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