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
   -2.7222    0.8337    0.0520 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9542   -0.1993   -0.2049 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5019   -0.1670   -0.0878 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1871    0.9583    0.3047 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5661    0.9477    0.4034 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4832    2.5154    0.9471 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.2586   -0.2073    0.1039 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5988   -1.3365   -0.2876 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2237   -1.3159   -0.3829 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6534   -2.9075   -0.9309 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.1644   -0.1532    0.2612 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -2.3063    1.7749    0.3685 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8015    0.7424   -0.0555 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4268   -1.1442   -0.5267 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3097    1.8695    0.5446 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1941   -2.2111   -0.5091 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