Basic information
- CAS
41825-94-9- Standard SMILES
O=C(O)C1(Br)CC12c1ccccc1-c1ccccc12- InChIKey
XAXOSYPNKFMSGC-UHFFFAOYSA-N- Molecular formula
- C16H11BrO2
- Average molar mass
- 315.16 g/mol
- Monoisotopic mass
- 313.99424
Names & identifiers
- Preferred name
- 2-Bromospiro[cyclopropane-1,9'-fluorene]-2-carboxylic acid
- IUPAC
- 1-bromospiro[cyclopropane-2,9'-fluorene]-1-carboxylic acid
Names & synonyms
MLS00270664741825-94-92-bromospiro[cyclopropane-1,9'-fluorene]-2-carboxylic acidNSC116460CHEMBL1866341DTXSID80297512NSC-116460SMR001574048
Database identifiers
- CAS
41825-94-9- PubChem CID
- 272189
- DTXSID
DTXSID80297512- ChEMBL
CHEMBL1866341
Properties
Computed structural properties
- XLogP
- 3.7
- 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
- 399
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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