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
   -2.7146   -0.7525    0.0815 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9472    0.2300   -0.3043 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5154    0.1441   -0.1198 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1640   -0.9041    0.4425 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5558   -0.8995    0.5804 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4060   -2.4082    1.3769 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.3000    0.1745    0.1492 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6374    1.2408   -0.4200 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2742    1.2183   -0.5465 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6092    2.7037   -1.3354 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.2166    0.2017    0.3293 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -2.3678   -1.6553    0.5418 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8075   -0.7095   -0.0488 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4140    1.0914   -0.7573 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4114   -1.7634    0.7895 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2333    2.0876   -0.7590 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