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
   -2.5930    1.0695   -0.0401 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9694   -0.0725   -0.1155 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5278   -0.1436   -0.0429 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2690    0.9479    0.1058 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6690    0.8701    0.1755 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6945    2.4540    0.3841 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.2294   -0.3685    0.0874 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4710   -1.5123   -0.0642 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1029   -1.3924   -0.1281 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9441   -2.9943   -0.3396 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.1487   -0.4686    0.1835 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -3.6866    1.1104   -0.0964 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1065    2.0074    0.0769 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5712   -0.9975   -0.2375 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1720    1.9538    0.1781 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9862   -2.4634   -0.1272 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