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
   -2.7699   -0.5158    0.3990 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9624    0.2343   -0.3091 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5102    0.1287   -0.1637 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2673    1.2888   -0.2563 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6269    1.2346   -0.1528 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6842    2.8415   -0.2826 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.3169    0.0599    0.0460 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5520   -1.0792    0.1362 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1652   -1.0466    0.0328 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7551   -2.7230    0.1237 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.2168    0.0407    0.1845 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -3.8577   -0.3960    0.2468 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4441   -1.2280    1.1376 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3699    0.9548   -1.0238 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2417    2.2249   -0.4119 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0818   -2.0197    0.2937 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