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
   -2.6343   -0.9464   -0.2798 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9356    0.1476   -0.4218 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5209    0.1508   -0.1420 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1870   -0.9455    0.2798 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5644   -0.8757    0.5351 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4501   -2.4715    1.1204 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.2437    0.2999    0.3682 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5717    1.4045   -0.0486 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2251    1.3268   -0.2959 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7273    2.8779   -0.8829 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.1311    0.3635    0.7263 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -2.2197   -1.8757    0.0409 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7140   -0.9949   -0.4815 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4025    1.0818   -0.7541 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3155   -1.8843    0.4211 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0966    2.3412   -0.1849 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