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
   -2.8778   -0.1206    0.4196 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7073   -0.5930    0.7394 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4065   -0.1824    0.2411 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6435   -1.1216    0.2783 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9182   -0.8337   -0.1514 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3314   -2.1132   -0.0963 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.2117    0.4203   -0.6452 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2056    1.3409   -0.6870 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0977    1.0515   -0.2487 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4079    2.4273   -0.3151 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.9860    0.8127   -1.2423 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -3.7750   -0.5603    0.9087 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1155    0.6530   -0.2885 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7448   -1.4173    1.4984 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4218   -2.1029    0.6626 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4144    2.3394   -1.0735 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