2-bromo-1-methoxy-4-phenylbenzene

• ChemBase ID: 297518
• Molecular Formular: C13H11BrO
• Molecular Mass: 263.12984
• Monoisotopic Mass: 261.99932697
• SMILES: COc1ccc(cc1Br)c1ccccc1
• Canonical SMILES: COc1ccc(cc1Br)c1ccccc1
• InChI: InChI=1S/C13H11BrO/c1-15-13-8-7-11(9-12(13)14)10-5-3-2-4-6-10/h2-9H,1H3
• InChIKey: QJGJVVIDRMVQMR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-bromo-1-methoxy-4-phenylbenzene
• IUPAC Traditional name: 2-bromo-1-methoxy-4-phenylbenzene
• Synonyms: 3-Bromo-4-methoxybiphenyl; 3-溴-4-甲氧基联苯

Database IDs

• CAS Number: 74447-73-7
• MDL Number: MFCD00079720
• PubChem SID: 180683049
• PubChem CID: 262267

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.2315526
• LogD (pH = 7.4): 4.2315526
• Log P: 4.2315526
• Molar Refractivity: 65.2802 cm^3
• Polarizability: 26.442463 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 99%