chempirical

1,1′-(1-Methylethylidene)bis[3,5-dibromo-4-(2,3-dibromo-2-methylpropoxy)benzene]

C23H24Br8O2CAS 97416-84-7971.67 g/mol

Open in Covalent MOL file
BrBrOBrBrOBrBrBrBr
Alkyl halideAryl halideEther

Properties

Molecular formula
C23H24Br8O2
Molar mass
971.67 g/mol
Exact mass
963.5243 Da
logP
10.92Crippen estimate
Polar surface area
18.5 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
10

Identifiers

CAS number
97416-84-7
SMILES
CC(Br)(CBr)COc1c(Br)cc(C(C)(C)c2cc(Br)c(OCC(C)(Br)CBr)c(Br)c2)cc1Br
InChIKey
IYOVSGHZOIZSDC-UHFFFAOYSA-N
InChI
InChI=1S/C23H24Br8O2/c1-21(2,13-5-15(26)19(16(27)6-13)32-11-22(3,30)9-24)14-7-17(28)20(18(29)8-14)33-12-23(4,31)10-25/h5-8H,9-12H2,1-4H3

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Names and synonyms

8 names
  • Benzene, 1,1′-(1-methylethylidene)bis[3,5-dibromo-4-(2,3-dibromo-2-methylpropoxy)-
  • 2,2-Bis[3,5-dibromo-4-(2,3-dibromo-2-methylpropoxy)phenyl]propane
  • 2,2-Bis[3,5-dibromo-4-(2,3-dibromo-2-methylpropyloxy)phenyl]propane
  • Tetrabromobisphenol A bis(2,3-dibromo-2-methylpropyl ether)
  • SR 130
  • Pyroguard SR 130
  • RK 972
  • 1,1′-(Isopropylidene)bis[3,5-dibromo-4-(2,3-dibromo-2-methylpropoxy)benzene]

Work with 1,1′-(1-Methylethylidene)bis[3,5-dibromo-4-(2,3-dibromo-2-methylpropoxy)benzene]

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

Tetrabromobisphenol A bis(2-hydroxyethyl) ether4162-45-252 % similar Tetrabromobisphenol A diallyl ether25327-89-351 % similar Tetrabromobisphenol A bis(2,3-dibromopropyl ether)21850-44-251 % similar Tetrabromobisphenol A79-94-740 % similar Phosgene-tetrabromobisphenol A polymer bis(2,4,6-tribromophenyl) ester71342-77-333 % similar 1,2-Bis(2,4,6-tribromophenoxy)ethane37853-59-132 % similar Carbonic dichloride, polymer with 4,4′-(1-methylethylidene)bis[2,6-dibromophenol] and phenol94334-64-230 % similar

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

Elsewhere

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