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
   -2.7715    0.3918    0.4110 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9026   -0.4317   -0.0890 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4830   -0.1918   -0.0820 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3848   -1.2670    0.1408 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7428   -1.1357    0.1387 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9236   -2.6137    0.4447 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.2637    0.1243   -0.0958 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4481    1.2028   -0.3190 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0608    1.0245   -0.3091 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0274    2.5716   -0.6857 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.1648    0.2987   -0.0958 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -3.8332    0.1440    0.3671 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4510    1.3018    0.8871 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3154   -1.3543   -0.5342 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0505   -2.2557    0.3244 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8463    2.1905   -0.5031 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