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
   -2.5869    0.9547   -0.2995 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9049    0.0242    0.3295 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4855   -0.0928    0.1642 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2104    0.7648   -0.6582 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5916    0.6040   -0.7811 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5747    1.7832   -1.9167 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.2194   -0.4036   -0.0797 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5173   -1.2612    0.7439 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1724   -1.1137    0.8708 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8497   -2.2719    1.9966 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.1060   -0.5947   -0.2707 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -2.1882    1.6969   -0.9740 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6805    1.0463   -0.1734 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4603   -0.6471    0.9752 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2363    1.5679   -1.2271 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0006   -2.0570    1.3001 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