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
   -2.8288   -0.0601    0.4269 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9102   -0.1439   -0.4970 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4957   -0.0062   -0.2003 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3951   -0.7919   -0.9533 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7584   -0.7501   -0.7990 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9164   -1.8469   -1.8570 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.3140    0.0968    0.1354 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4751    0.8802    0.8890 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0830    0.8247    0.7170 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0380    1.9768    1.7536 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.2117    0.1356    0.3311 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -3.9012   -0.1610    0.2079 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5935    0.0876    1.4510 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2388   -0.3264   -1.5361 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0411   -1.4640   -1.6942 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8939    1.5488    1.6249 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