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
   -2.7028   -0.4467   -0.6122 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9450    0.1307    0.2739 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4912    0.1036    0.1808 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1509   -0.5372   -0.8536 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5486   -0.5410   -0.9082 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4914   -1.4071   -2.3090 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.2821    0.0932    0.0682 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6285    0.7381    1.1095 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2745    0.7457    1.1685 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6718    1.6163    2.5766 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.1807    0.0823   -0.0149 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -2.3304   -0.9835   -1.4735 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7950   -0.4332   -0.5532 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4347    0.6443    1.1025 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3659   -1.0494   -1.6449 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1801    1.2440    1.8894 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