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
   -2.6704    0.8644    0.3671 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9741   -0.1368   -0.1178 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5248   -0.1342   -0.0804 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2330    0.8801    0.4474 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6299    0.8015    0.4427 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6114    2.2652    1.2016 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.3050   -0.2759   -0.0810 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5548   -1.2916   -0.6093 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1812   -1.2215   -0.6084 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8454   -2.6508   -1.3511 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.2159   -0.3380   -0.0646 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -3.7706    0.8568    0.3359 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2537    1.7442    0.8190 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4950   -0.9758   -0.5517 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2540    1.7518    0.8726 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0566   -2.1393   -1.0221 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