1,6-Bis(4-bromophenoxy)hexane - CAS 6943-11-9
Catalog: |
BB070996 |
Product Name: |
1,6-Bis(4-bromophenoxy)hexane |
CAS: |
6943-11-9 |
Synonyms: |
1,6-Di-(4-bromophenoxy)hexane; 1-bromo-4-[6-(4-bromophenoxy)hexoxy]benzene; 1,6-bis(4-bromophenoxy)hexane |
IUPAC Name: | 1-bromo-4-[6-(4-bromophenoxy)hexoxy]benzene |
Molecular Weight: | 428.16 |
Molecular Formula: | C18H20Br2O2 |
Canonical SMILES: | C1=CC(=CC=C1OCCCCCCOC2=CC=C(C=C2)Br)Br |
InChI: | InChI=1S/C18H20Br2O2/c19-15-5-9-17(10-6-15)21-13-3-1-2-4-14-22-18-11-7-16(20)8-12-18/h5-12H,1-4,13-14H2 |
InChI Key: | RCTHJRFRURADHF-UHFFFAOYSA-N |
Complexity: | 244 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 427.98096 |
Formal Charge: | 0 |
Heavy Atom Count: | 22 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 425.98301 |
Rotatable Bond Count: | 9 |
Topological Polar Surface Area: | 18.5Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 6.4 |
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