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4162-45-2 | 4,4-Isopropylidenebis[2-(2,6-dibromophenoxy)ethanol]
CAS No: 4162-45-2 Catalog No: AG003KGL MDL No:MFCD00059603
Product Description
Catalog Number:
AG003KGL
Chemical Name:
4,4-Isopropylidenebis[2-(2,6-dibromophenoxy)ethanol]
CAS Number:
4162-45-2
MDL Number:
MFCD00059603
IUPAC Name:
2-[2,6-dibromo-4-[2-[3,5-dibromo-4-(2-hydroxyethoxy)phenyl]propan-2-yl]phenoxy]ethanol
InChI:
InChI=1S/C19H20Br4O4/c1-19(2,11-7-13(20)17(14(21)8-11)26-5-3-24)12-9-15(22)18(16(23)10-12)27-6-4-25/h7-10,24-25H,3-6H2,1-2H3
InChI Key:
RVHUMFJSCJBNGS-UHFFFAOYSA-N
EC Number:
224-005-4
UNII:
Y6AMX5NV4O
Properties
Complexity:
391
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
631.805g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
631.981g/mol
Monoisotopic Mass:
627.81g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
58.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.1
Literature
| Title | Journal |
|---|---|
| PBDE: structure-activity studies for the inhibition of hepatitis C virus NS3 helicase. | Molecules (Basel, Switzerland) 20140402 |
| Identification of the brominated flame retardant 1,2-dibromo-4-(1,2-dibromoethyl)cyclohexane as an androgen agonist. | Journal of medicinal chemistry 20061214 |
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