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
   -2.8297   -0.3331   -0.0944 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7274   -0.9222    0.2462 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4271   -0.2979    0.1197 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6625   -1.1177   -0.2221 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9226   -0.6126   -0.3385 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3907   -1.7726   -0.8097 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.2189    0.7165   -0.1336 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1617    1.5294    0.2022 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1469    1.0245    0.3276 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5655    2.1897    0.8499 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.0020    1.3609   -0.3128 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -2.9490    0.6639   -0.5074 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7578   -0.8996    0.0470 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7636   -1.9278    0.6456 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4853   -2.1753   -0.3951 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3233    2.5738    0.3754 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