1,5-Bis(4-bromophenoxy)pentane - CAS 117499-24-8
Catalog: |
BB061737 |
Product Name: |
1,5-Bis(4-bromophenoxy)pentane |
CAS: |
117499-24-8 |
Synonyms: |
1-Bromo-4-[5-(4-bromophenoxy)pentoxy]benzene |
IUPAC Name: | 1-bromo-4-[5-(4-bromophenoxy)pentoxy]benzene |
Molecular Weight: | 414.13 |
Molecular Formula: | C17H18Br2O2 |
Canonical SMILES: | C1=CC(=CC=C1OCCCCCOC2=CC=C(C=C2)Br)Br |
InChI: | InChI=1S/C17H18Br2O2/c18-14-4-8-16(9-5-14)20-12-2-1-3-13-21-17-10-6-15(19)7-11-17/h4-11H,1-3,12-13H2 |
InChI Key: | VHNYVMYBSDSVDJ-UHFFFAOYSA-N |
References: | Babirad, S. A., et al. J. Chem. Eng. Data, 34, 140 (1989); Qin, L., et al. Chem. Eur. J., 24, 14400 (2018). |
Complexity: | 234 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 413.96531 |
Formal Charge: | 0 |
Heavy Atom Count: | 21 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 411.96735 |
Rotatable Bond Count: | 8 |
Topological Polar Surface Area: | 18.5Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 6 |
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