4-(3-bromopropoxy)benzaldehyde

• ChemBase ID: 312552
• Molecular Formular: C10H11BrO2
• Molecular Mass: 243.09714
• Monoisotopic Mass: 241.99424159
• SMILES: O=Cc1ccc(cc1)OCCCBr
• Canonical SMILES: BrCCCOc1ccc(cc1)C=O
• InChI: InChI=1S/C10H11BrO2/c11-6-1-7-13-10-4-2-9(8-12)3-5-10/h2-5,8H,1,6-7H2
• InChIKey: XQCCNZFHLCQXEP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(3-bromopropoxy)benzaldehyde
• IUPAC Traditional name: 4-(3-bromopropoxy)benzaldehyde
• Synonyms: 4-(3-bromopropoxy)benzaldehyde

Database IDs

• CAS Number: 17954-81-3
• MDL Number: MFCD08447768

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.4380217
• LogD (pH = 7.4): 2.4380217
• Log P: 2.4380217
• Molar Refractivity: 56.2974 cm^3
• Polarizability: 21.143745 Å^3
• Polar Surface Area: 26.3 Å^2