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
   -2.7025    0.0408    0.8198 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7699    0.7580    0.2519 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4135    0.3088    0.0075 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0129   -0.9579    0.3771 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2932   -1.3786    0.1371 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7635   -3.1351    0.6759 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.1755   -0.5139   -0.4725 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7649    0.7504   -0.8380 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4644    1.1815   -0.6039 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0667    2.9510   -1.1290 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.9662   -1.0614   -0.8129 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -3.6836    0.4556    0.9616 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4924   -0.9569    1.1436 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0622    1.7817   -0.0566 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6714   -1.6669    0.8568 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4473    1.4430   -1.3188 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