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
   -2.9256    0.0988   -0.0698 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8492   -0.4875    0.3831 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4638   -0.1440    0.1521 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4768   -1.1758    0.2119 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8218   -1.0093    0.0315 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0473   -2.4659    0.1274 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.3068    0.2527   -0.2281 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4117    1.2890   -0.2930 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0353    1.1019   -0.1051 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1199    2.6026   -0.1717 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.1873    0.5253   -0.4890 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -2.8839    0.9656   -0.7141 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9252   -0.2997    0.2105 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0201   -1.3644    1.0364 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1161   -2.1857    0.4162 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7844    2.2962   -0.4984 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