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
   -2.7898   -0.0961    0.5944 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9261    0.4134   -0.2398 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5057    0.1363   -0.1469 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3962    1.1681   -0.4606 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7604    1.0046   -0.4292 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9244    2.4654   -0.8719 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.3129   -0.2096   -0.0796 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4528   -1.2264    0.2284 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0606   -1.0580    0.1951 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0430   -2.5509    0.5877 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.2163   -0.4308   -0.0368 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -3.8529    0.1296    0.4965 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4898   -0.7281    1.4104 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3256    1.0688   -1.0243 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0594    2.1118   -0.7319 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8686   -2.1981    0.5084 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