(10-bromodecyl)benzene

• ChemBase ID: 91987
• Molecular Formular: C16H25Br
• Molecular Mass: 297.2737
• Monoisotopic Mass: 296.1139628
• SMILES: BrCCCCCCCCCCc1ccccc1
• Canonical SMILES: BrCCCCCCCCCCc1ccccc1
• InChI: InChI=1S/C16H25Br/c17-15-11-6-4-2-1-3-5-8-12-16-13-9-7-10-14-16/h7,9-10,13-14H,1-6,8,11-12,15H2
• InChIKey: DTPVJMBHPQHEHV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (10-bromodecyl)benzene
• IUPAC Traditional name: (10-bromodecyl)benzene
• Synonyms: 1-Bromo-10-phenyldecane; (10-Bromodec-1-yl)benzene 95+%

Database IDs

• CAS Number: 85562-26-1
• MDL Number: MFCD01075179
• PubChem SID: 162078685
• PubChem CID: 2735602

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 6.5911937
• LogD (pH = 7.4): 6.5911937
• Log P: 6.5911937
• Molar Refractivity: 80.4714 cm^3
• Polarizability: 31.218302 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• Storage Warning: Irritant