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
    2.6067   -1.1226    0.4079 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9503    0.0138    0.3216 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5242    0.1223    0.0887 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2857   -0.9794   -0.0660 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6503   -0.8173   -0.2876 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7213   -2.3784   -0.4941 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -2.2546    0.4199   -0.3634 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4473    1.5236   -0.2091 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0988    1.3624    0.0099 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9867    2.9052    0.2184 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -4.1272    0.6075   -0.6682 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.6930   -1.0794    0.5877 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0933   -2.0534    0.3054 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5029    0.9581    0.4308 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1334   -1.9845   -0.0163 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9054    2.5022   -0.2657 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