Phenyl 4-bromo-1-hydroxynaphthalene-2-carboxylate
Basic information
- CAS
36268-76-5- Standard SMILES
O=C(Oc1ccccc1)c1cc(Br)c2ccccc2c1O- InChIKey
OIOVTLYQTZPXTO-UHFFFAOYSA-N- Molecular formula
- C17H11BrO3
- Average molar mass
- 343.2 g/mol
- Monoisotopic mass
- 341.98916
Names & identifiers
- Preferred name
- Phenyl 4-bromo-1-hydroxynaphthalene-2-carboxylate
- IUPAC
- phenyl 4-bromo-1-hydroxynaphthalene-2-carboxylate
- English name
- Phenyl 4-bromo-1-hydroxynaphthalene-2-carboxylate
- Molecular formula
- C17H11BrO3
- Molecular weight
- 343.17
Names & synonyms
phenyl 4-bromo-1-hydroxynaphthalene-2-carboxylate36268-76-5NSC 151242NSC151242DTXSID30302488AKOS024341258NSC-151242ST50558418PHENYL 4-BROMO-1-HYDROXY-2-NAPHTHOATE2-Naphthalenecarboxylic acid, 4-bromo-1-hydroxy-, phenyl ester
Database identifiers
- CAS
36268-76-5- PubChem CID
- 289458
- DTXSID
DTXSID30302488
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 367
Physicochemical properties
- Melting point
- 106 · 106-108 °C
- Boiling point
- 470.2 · 470.2±30.0 °C(Predicted)
- Density
- 1.548 · 1.548±0.06 g/cm3(Predicted)
- pka
- 6.79 · 6.79±0.50(Predicted)
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Compound notes
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