3,5-Dibromo-4-(phenylmethoxy)benzoic acid
Basic information
- CAS
501657-81-4- Standard SMILES
O=C(O)c1cc(Br)c(OCc2ccccc2)c(Br)c1- InChIKey
QMVAOVCGGJREIA-UHFFFAOYSA-N- Molecular formula
- C14H10Br2O3
- Average molar mass
- 386.03 g/mol
- Monoisotopic mass
- 383.89967
Names & identifiers
- Preferred name
- 3,5-Dibromo-4-(phenylmethoxy)benzoic acid
- IUPAC
- 3,5-dibromo-4-phenylmethoxybenzoic acid
Names & synonyms
3,5-Dibromo-4-(phenylmethoxy)benzoic acid501657-81-4NSC210571SCHEMBL29108936DTXSID501273401NSC-2105714-(BENZYLOXY)-3,5-DIBROMOBENZOIC ACIDBenzoic acid, 3,5-dibromo-4-(phenylmethoxy)-
Database identifiers
- CAS
501657-81-4- PubChem CID
- 308696
- DTXSID
DTXSID501273401
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 293
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Compound notes
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