3-bromo-1-[3-bromo-2-(methoxymethoxy)naphthalen-1-yl]-2-(methoxymethoxy)naphthalene

• ChemBase ID: 296664
• Molecular Formular: C24H20Br2O4
• Molecular Mass: 532.2212
• Monoisotopic Mass: 529.97283312
• SMILES: COCOc1c(cc2ccccc2c1c1c2ccccc2cc(c1OCOC)Br)Br
• Canonical SMILES: COCOc1c(Br)cc2c(c1c1c(OCOC)c(Br)cc3c1cccc3)cccc2
• InChI: InChI=1S/C24H20Br2O4/c1-27-13-29-23-19(25)11-15-7-3-5-9-17(15)21(23)22-18-10-6-4-8-16(18)12-20(26)24(22)30-14-28-2/h3-12H,13-14H2,1-2H3
• InChIKey: GBVXBVQRXNQXPL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-bromo-1-[3-bromo-2-(methoxymethoxy)naphthalen-1-yl]-2-(methoxymethoxy)naphthalene
• IUPAC Traditional name: 3-bromo-1-[3-bromo-2-(methoxymethoxy)naphthalen-1-yl]-2-(methoxymethoxy)naphthalene
• Synonyms: (R)-3,3'-Dibromo-2,2'-bis(methoxymethoxy)-1,1'-binaphthyl; (S)-3,3'-Dibromo-1,1'-Bi(2-naphthol) bis(methoxymethyl)ether; (S)-3,3'-Dibromo-2,2'-bis(methoxymethoxy)-1,1'-binaphthyl; (R)-3,3'-二溴-2,2'-双(甲氧基甲氧基)-1,1'-联萘; (S)-3,3'-二溴-2,2'-双(甲氧基甲氧基)-1,1'-联萘

Database IDs

• CAS Number: 142010-87-5; 211734-49-5
• MDL Number: MFCD16294495
• PubChem SID: 180682195
• PubChem CID: 12996399

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 6.9478383
• LogD (pH = 7.4): 6.9478383
• Log P: 6.9478383
• Molar Refractivity: 123.9726 cm^3
• Polarizability: 51.737556 Å^3
• Polar Surface Area: 36.92 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 93-95°C

Safety Information

• TSCA Listed: 否

Product Information

• Purity: 97%