1-butoxy-2,3-difluorobenzene

• ChemBase ID: 100336
• Molecular Formular: C10H12F2O
• Molecular Mass: 186.1984864
• Monoisotopic Mass: 186.08562144
• SMILES: Fc1c(cccc1F)OCCCC
• Canonical SMILES: CCCCOc1cccc(c1F)F
• InChI: InChI=1S/C10H12F2O/c1-2-3-7-13-9-6-4-5-8(11)10(9)12/h4-6H,2-3,7H2,1H3
• InChIKey: HYDIPEHDSUNHPA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-butoxy-2,3-difluorobenzene
• IUPAC Traditional name: 1-butoxy-2,3-difluorobenzene
• Synonyms: 1-Butoxy-2,3-difluorobenzene; But-1-yl 2,3-difluorophenyl ether 99%; 1-BUTOXY-2,3-DIFLUOROBENZENE

Database IDs

• CAS Number: 136239-66-2
• MDL Number: MFCD07368738
• PubChem SID: 162086974
• PubChem CID: 2782939

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.4248774
• LogD (pH = 7.4): 3.4248774
• Log P: 3.4248774
• Molar Refractivity: 46.8276 cm^3
• Polarizability: 17.74704 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant

Product Information

• Purity: 97%