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
   -2.6305   -0.8751   -0.4764 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9740    0.1087    0.0918 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5198    0.1337    0.0859 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2504   -0.8490   -0.5017 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6494   -0.7751   -0.4782 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6789   -2.1566   -1.3035 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.2774    0.2898    0.1378 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5448    1.2757    0.7267 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1692    1.1886    0.6951 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9318    2.5371    1.5021 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.1751    0.3841    0.1662 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -3.7380   -0.8723   -0.4590 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2089   -1.7269   -0.9824 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5209    0.8971    0.5623 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2312   -1.7001   -0.9943 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0099    2.1403    1.2274 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