1-(bromomethyl)-3-(2-fluorophenoxy)benzene

• ChemBase ID: 9656
• Molecular Formular: C13H10BrFO
• Molecular Mass: 281.1203032
• Monoisotopic Mass: 279.98990516
• SMILES: c1cc(cc(c1)CBr)Oc1ccccc1F
• Canonical SMILES: BrCc1cccc(c1)Oc1ccccc1F
• InChI: InChI=1S/C13H10BrFO/c14-9-10-4-3-5-11(8-10)16-13-7-2-1-6-12(13)15/h1-8H,9H2
• InChIKey: FWAHWPGVFDHNCH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(bromomethyl)-3-(2-fluorophenoxy)benzene
• IUPAC Traditional name: 1-(bromomethyl)-3-(2-fluorophenoxy)benzene
• Synonyms: 3-(2-Fluorophenoxy)benzyl bromide; 1-[3-(Bromomethyl)phenoxy]-2-fluorobenzene; 3-(2-Fluorophenoxy)benzyl bromide; 3-(Bromomethyl)-2'-fluorodiphenyl ether

Database IDs

• CAS Number: 242812-04-0
• MDL Number: MFCD00059914
• PubChem SID: 160972963
• PubChem CID: 2737454

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.3889723
• LogD (pH = 7.4): 4.3889723
• Log P: 4.3889723
• Molar Refractivity: 65.3656 cm^3
• Polarizability: 24.84353 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Density: 1.46; 1.460

Safety Information

• Storage Warning: Corrosive/Harmful/Lachrymatory/Light Sensitive/Keep Cold; IRRITANT
• TSCA Listed: false