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Structure

Phenoxy-terminated tetrabromobisphenol-a carbonate oligomer

CAS
94334-64-2
Catalog Number
ACM94334642
Category
Other Products
Molecular Weight
736.9g/mol
Molecular Formula
C22H18Br4Cl2O4

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Specification

Synonyms
Phenoxy-terminated tetrabromobisphenol-a carbonate oligomer;TBBPA carbonate oligomer BC52
IUPAC Name
carbonyl dichloride;2,6-dibromo-4-[2-(3,5-dibromo-4-hydroxyphenyl)propan-2-yl]phenol;phenol
Canonical SMILES
CC(C)(C1=CC(=C(C(=C1)Br)O)Br)C2=CC(=C(C(=C2)Br)O)Br.C1=CC=C(C=C1)O.C(=O)(Cl)Cl
InChI
InChI=1S/C15H12Br4O2.C6H6O.CCl2O/c1-15(2,7-3-9(16)13(20)10(17)4-7)8-5-11(18)14(21)12(19)6-8;7-6-4-2-1-3-5-6;2-1(3)4/h3-6,20-21H,1-2H3;1-5,7H;
InChI Key
LJNDPOUIYDAJNC-UHFFFAOYSA-N
Complexity
385
Covalently-Bonded Unit Count
3
EC Number
619-012-8
Exact Mass
735.72747g/mol
Formal Charge
0
H-Bond Acceptor
4
H-Bond Donor
3
Heavy Atom Count
32
Monoisotopic Mass
731.73156g/mol
Rotatable Bond Count
2
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