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Structure

Tetrabromobisphenol A diglycidyl ether

CAS
3072-84-2
Catalog Number
ACM3072842-1
Category
Other Products
Molecular Weight
656
Molecular Formula
C21H20Br4O4

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Specification

Synonyms
Glycidyl tetrabromodian ether
IUPAC Name
2-[[2,6-Dibromo-4-[2-[3,5-dibromo-4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]methyl]oxirane
Canonical SMILES
CC(C)(C1=CC(=C(C(=C1)Br)OCC2CO2)Br)C3=CC(=C(C(=C3)Br)OCC4CO4)Br
InChI
InChI=1S/C21H20Br4O4/c1-21(2,11-3-15(22)19(16(23)4-11)28-9-13-7-26-13)12-5-17(24)20(18(25)6-12)29-10-14-8-27-14/h3-6,13-14H,7-10H2,1-2H3
InChI Key
ZJRAAAWYHORFHN-UHFFFAOYSA-N
Density
1.842g/cm³
Complexity
495
Covalently-Bonded Unit Count
1
Defined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Exact Mass
655.80541
Formal Charge
0
Heavy Atom Count
29
Hydrogen Bond Acceptor Count
4
Hydrogen Bond Donor Count
0
Isotope Atom Count
0
Monoisotopic Mass
651.80951
Rotatable Bond Count
8
Topological Polar Surface Area
43.5 Ų
Undefined Atom Stereocenter Count
2
Undefined Bond Stereocenter Count
0
July 19, 2023


Safety information details
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