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Phosgene-tetrabromobisphenol A polymer bis(2,4,6-tribromophenyl) ester

C22H15Br7Cl2O4CAS 71342-77-3973.59 g/mol

Open in Covalent MOL file
BrOHBrBrOHBrOClClHOBrBrBr
Acyl halideAryl halidePhenol

Properties

Molecular formula
C22H15Br7Cl2O4
Molar mass
973.59 g/mol
Exact mass
965.4631 Da
logP
11.74Crippen estimate
Polar surface area
77.8 Ų
H-bond donors / acceptors
3 / 4
Rotatable bonds
2

Identifiers

CAS number
71342-77-3
SMILES
CC(C)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1.O=C(Cl)Cl.Oc1c(Br)cc(Br)cc1Br
InChIKey
YRHXIRYYWKOJIY-UHFFFAOYSA-N
InChI
InChI=1S/C15H12Br4O2.C6H3Br3O.CCl2O/c1-15(2,7-3-9(16)13(20)10(17)4-7)8-5-11(18)14(21)12(19)6-8;7-3-1-4(8)6(10)5(9)2-3;2-1(3)4/h3-6,20-21H,1-2H3;1-2,10H;

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Names and synonyms

2 names
  • Carbonic dichloride, polymer with 4,4′-(1-methylethylidene)bis[2,6-dibromophenol], bis(2,4,6-tribromophenyl) ester
  • Phenol, 4,4′-(1-methylethylidene)bis[2,6-dibromo-, polymer with carbonic dichloride, bis(2,4,6-tribromophenyl) ester

Work with Phosgene-tetrabromobisphenol A polymer bis(2,4,6-tribromophenyl) ester

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Carbonic dichloride, polymer with 4,4′-(1-methylethylidene)bis[2,6-dibromophenol] and phenol94334-64-272 % similar Tetrabromobisphenol A79-94-763 % similar 2,4,6-Tribromophenol118-79-649 % similar 3,5-Dibromosalicylic acid3147-55-547 % similar Methyl 3,5-dibromosalicylate21702-79-443 % similar 3,4′,5-Tribromosalicylanilide87-10-540 % similar 3′,5′-Dibromo-4′-hydroxyacetophenone2887-72-140 % similar 2-Bromo-4,6-di-tert-butylphenol20834-61-139 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

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