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
   -2.6481   -1.0066   -0.3201 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9803    0.1114   -0.1485 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5367    0.1390   -0.0288 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2769   -0.9862   -0.0812 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6613   -0.8874    0.0412 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6604   -2.5004   -0.0474 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.2849    0.3254    0.2191 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4990    1.4553    0.2742 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1306    1.3563    0.1531 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9334    2.9345    0.2328 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.1768    0.4821    0.3886 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -2.1363   -1.9487   -0.3778 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7486   -1.0056   -0.4090 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5072    1.0683   -0.0905 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1871   -1.9596   -0.2210 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9877    2.4223    0.4153 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