Basic information
- Standard SMILES
O=C(Cl)C1(CCCCBr)c2ccccc2Oc2ccccc21- InChIKey
YXTFZBVDJCNTIO-UHFFFAOYSA-N- Molecular formula
- C18H16BrClO2
- Average molar mass
- 379.7 g/mol
- Monoisotopic mass
- 378.00222
Names & identifiers
- Preferred name
- 9-(4-Bromo-butyl)-9h-xanthene-9-carboxylic acid chloride
- IUPAC
- 9-(4-bromobutyl)xanthene-9-carbonyl chloride
Names & synonyms
SCHEMBL6766827YXTFZBVDJCNTIO-UHFFFAOYSA-N9-(4-bromo-butyl)-9h-xanthene-9-carboxylic acid chloride
Database identifiers
- PubChem CID
- 88039596
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 379
Related reactions
3 records
Compound notes
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