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

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
    2.6053    0.9621    0.6841 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9640   -0.1209    0.3181 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5352   -0.1427    0.0611 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2898    0.9533    0.1713 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6554    0.8768   -0.0874 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7599    2.4189    0.0777 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -2.2547   -0.3037   -0.4685 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4399   -1.4096   -0.5829 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0907   -1.3352   -0.3276 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0052   -2.8923   -0.4977 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -4.1331   -0.4118   -0.8251 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.1034    1.9066    0.8161 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6727    0.9470    0.8688 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5308   -1.0355    0.2046 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1381    1.9223    0.4729 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9312   -2.3351   -0.8855 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