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
   -2.8287   -0.3525   -0.0678 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6853   -0.9818    0.0825 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3924   -0.3404    0.0501 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6722   -1.0143   -0.5818 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9309   -0.4544   -0.6166 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3519   -1.3795   -1.4735 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.1719    0.7669   -0.0382 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1496    1.4410    0.5836 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1322    0.8612    0.6148 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5116    1.7981    1.5355 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.9223    1.5271   -0.0974 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -2.8486    0.7053   -0.2296 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7671   -0.9288   -0.0249 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7694   -2.0709    0.2412 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4528   -1.9808   -1.0320 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2841    2.4040    1.0542 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