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
   -2.8040    0.3129    0.5437 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9049   -0.5459    0.1082 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4812   -0.2606   -0.0149 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0742    0.9556    0.3175 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4429    1.1987    0.1884 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1963    2.8809    0.6504 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.2959    0.2242   -0.2798 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7457   -0.9938   -0.6136 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3931   -1.2266   -0.4835 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3660   -2.9276   -0.9511 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.1783    0.5419   -0.4630 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -3.8449    0.0789    0.6249 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5063    1.3046    0.8389 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2691   -1.5262   -0.1727 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5552    1.7626    0.6932 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4053   -1.7795   -0.9867 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