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
    2.8157   -0.2079   -0.2760 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7819   -0.7505    0.3286 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4451   -0.2538    0.1616 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5824   -1.1799    0.0790 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9032   -0.8013   -0.0559 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3182   -2.0776   -0.1696 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -2.2220    0.5379   -0.1114 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2096    1.4650   -0.0296 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1212    1.0583    0.1075 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4408    2.4118    0.2679 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -4.0445    1.1218   -0.2997 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.6713    0.6274   -0.9165 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8256   -0.6287   -0.1101 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9994   -1.6170    0.9779 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3345   -2.2195    0.1220 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4865    2.5138   -0.0757 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