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
   -1.7401   -1.2904    1.8806 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1845   -1.3988    0.7122 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3212   -0.4158    0.1117 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7171   -0.8529   -0.7478 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5595    0.0347   -1.3662 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9502   -0.5738   -2.5187 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.4487    1.3988   -1.1911 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4500    1.8418   -0.3641 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4030    0.9420    0.2613 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8169    1.6411    1.3639 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.6398    2.6005   -2.0673 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -2.3991   -2.0948    2.2765 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6390   -0.4857    2.5944 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3837   -2.3059    0.1329 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8086   -1.9330   -0.8895 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3137    2.8922   -0.1885 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