2-bromo-1-(cyclopropylmethoxy)-4-fluorobenzene

• ChemBase ID: 241823
• Molecular Formular: C10H10BrFO
• Molecular Mass: 245.0882032
• Monoisotopic Mass: 243.98990516
• SMILES: c1(cc(ccc1OCC1CC1)F)Br
• Canonical SMILES: Fc1ccc(c(c1)Br)OCC1CC1
• InChI: InChI=1S/C10H10BrFO/c11-9-5-8(12)3-4-10(9)13-6-7-1-2-7/h3-5,7H,1-2,6H2
• InChIKey: DMBRHDBGDYLULL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-bromo-1-(cyclopropylmethoxy)-4-fluorobenzene
• IUPAC Traditional name: 2-bromo-1-(cyclopropylmethoxy)-4-fluorobenzene
• Synonyms: 2-bromo-1-(cyclopropylmethoxy)-4-fluorobenzene

Database IDs

• MDL Number: MFCD12138832
• PubChem SID: 164297733
• PubChem CID: 43560396

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.5076063
• LogD (pH = 7.4): 3.5076063
• Log P: 3.5076063
• Molar Refractivity: 52.3024 cm^3
• Polarizability: 20.217152 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.999

Product Information

• Purity: 95%