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
    2.6472   -0.9441   -0.0642 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9190    0.1271   -0.2770 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4987    0.1325   -0.1003 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2191   -0.9704    0.3027 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6072   -0.8863    0.4531 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6215   -2.3878    1.0063 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -2.2463    0.3015    0.1964 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5352    1.3938   -0.2027 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1675    1.3394   -0.3590 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8591    2.8397   -0.9135 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -4.1330    0.4258    0.3980 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.7312   -0.9591   -0.1960 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1558   -1.8435    0.2530 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4878    1.0029   -0.5972 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2517   -1.9283    0.5153 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0207    2.3567   -0.4149 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