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
   -2.7282   -0.7244    0.1005 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9378    0.2969    0.3086 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5071    0.1865    0.1126 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1327   -0.9602   -0.2959 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5241   -0.9928   -0.4647 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3631   -2.5943   -1.0289 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.3137    0.1097   -0.2328 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6803    1.2614    0.1764 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3115    1.2968    0.3434 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5730    2.8969    0.9125 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.2033    0.0077   -0.4788 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -3.8227   -0.6280    0.2540 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3897   -1.6850   -0.2191 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3964    1.2338    0.6349 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4430   -1.8593   -0.4929 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2693    2.1544    0.3701 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