chempirical

2,4,6-Tribromophenyl acrylate

C9H5Br3O2CAS 3741-77-3384.85 g/mol

Open in Covalent MOL file
OOBrBrBr
AlkeneAryl halideEster

Properties

Molecular formula
C9H5Br3O2
Molar mass
384.85 g/mol
Exact mass
381.7840 Da
Melting point
78–79 °C
logP
4.07Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
2

Identifiers

CAS number
3741-77-3
SMILES
C=CC(=O)Oc1c(Br)cc(Br)cc1Br
InChIKey
CNLVUQQHXLTOTC-UHFFFAOYSA-N
InChI
InChI=1S/C9H5Br3O2/c1-2-8(13)14-9-6(11)3-5(10)4-7(9)12/h2-4H,1H2

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Names and synonyms

9 names
  • 2-Propenoic acid, 2,4,6-tribromophenyl ester
  • Acrylic acid, 2,4,6-tribromophenyl ester
  • Phenol, 2,4,6-tribromo-, acrylate
  • Fire lord A
  • SR 803
  • Newfrontier BR 30
  • BR 30
  • 2,4,6-Tribromophenyl prop-2-enoate
  • (2,4,6-Tribromophenyl) prop-2-enoate

Work with 2,4,6-Tribromophenyl acrylate

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

2,4,6-Tribromophenyl methacrylate37721-71-450 % similar Allyl 2,4,6-tribromophenyl ether3278-89-545 % similar Acrylic anhydride2051-76-542 % similar 1,2-Bis(2,4,6-tribromophenoxy)ethane37853-59-140 % similar 2,4,6-Tribromoanisole607-99-840 % similar 3,5-Dibromo-2-methoxybenzoic acid13130-23-939 % similar 2,4,6-Tris(2,4,6-tribromophenoxy)-1,3,5-triazine25713-60-438 % similar 4-(Acryloyloxy)benzophenone22535-49-536 % similar

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

Elsewhere

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