Monomers

Benzene, 1,2,4-tribromo-5-ethenyl-

Identifiers

IUPAC name
1,2,4-tribromo-5-ethenylbenzene
InchI
InChI=1S/C8H5Br3/c1-2-5-3-7(10)8(11)4-6(5)9/h2-4H,1H2
InchI Key
ZFYXTBYFHIVKEC-UHFFFAOYSA-N
SMILES
C=Cc1cc(Br)c(cc1Br)Br
Canonical SMILES
C=CC1=CC(=C(C=C1Br)Br)Br
Isomeric SMILES
C=CC1=CC(=C(C=C1Br)Br)Br
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C8H5Br3
Heavy Atom Count
11
Molecular Weight
340.84
Exact Molecular Weight
337.7941
Valence Electrons
58
Radical Electrons
0
tPSA
0.0
MolLogP
4.6171
H Bond Acceptors
0
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
1
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
1

MOL File


     RDKit          3D

 16 16  0  0  0  0  0  0  0  0999 V2000
   -2.8993   -0.1342    0.2551 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8095    0.4508    0.6671 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4425    0.1553    0.3030 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4745    1.2177    0.3479 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8016    1.0125    0.0348 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0293    2.4712    0.1028 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.2770   -0.2388   -0.3328 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3698   -1.2645   -0.3711 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0153   -1.0818   -0.0568 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1075   -2.6195   -0.1168 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.1224   -0.4739   -0.7580 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -3.8620    0.1895    0.6131 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8831   -0.9253   -0.4495 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9375    1.2876    1.4028 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1468    2.2130    0.6301 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7047   -2.2595   -0.6547 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  5  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
  7 11  1  0
  9  3  1  0
  1 12  1  0
  1 13  1  0
  2 14  1  0
  4 15  1  0
  8 16  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers