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
   -2.7419    0.6463   -0.2550 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9569   -0.2611    0.2732 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5136   -0.1742    0.1383 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1411    0.8296   -0.5305 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5300    0.8870   -0.6439 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3553    2.3059   -1.5836 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.3144   -0.0903   -0.0716 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6701   -1.1046    0.6032 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3010   -1.1580    0.7129 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5508   -2.5800    1.6562 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.2290   -0.0404   -0.2094 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -3.8340    0.5728   -0.1481 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4030    1.5062   -0.8158 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4239   -1.0839    0.8177 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4201    1.6230   -0.9993 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3034   -1.8784    1.0556 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