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
   -2.5930   -1.0573   -0.4948 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9397    0.0559   -0.2418 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5041    0.1153   -0.0475 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3125   -0.9722   -0.1070 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6946   -0.8505    0.0897 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7956   -2.4086   -0.0043 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.2233    0.3947    0.3466 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4252    1.5029    0.4116 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0690    1.3625    0.2154 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0868    2.8855    0.2970 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.1035    0.5246    0.6088 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -2.0279   -1.9735   -0.5607 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6893   -1.0667   -0.6377 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5557    0.9596   -0.1842 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0754   -1.9583   -0.3064 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8483    2.4861    0.6152 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