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
    2.7737    0.4023   -0.3306 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9306   -0.3479    0.3406 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4993   -0.1796    0.1696 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0920    0.7351   -0.6690 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4785    0.8620   -0.8019 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1884    2.1643   -1.9941 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -2.3105    0.0471   -0.0720 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7591   -0.8816    0.7788 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3948   -0.9853    0.8903 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4092   -2.2721    2.0696 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -4.2095    0.2348   -0.2666 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.8703    0.2744   -0.2006 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4753    1.1615   -1.0244 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3400   -1.0873    1.0177 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5359    1.4008   -1.2659 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4016   -1.5284    1.3583 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