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
   -2.9097   -0.0347    0.0234 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8066   -0.6078    0.3683 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4381   -0.2142    0.1395 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5761   -1.2008    0.1257 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8822   -0.8837   -0.0686 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2220   -2.2630   -0.0783 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.2971    0.4153   -0.2636 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3392    1.3960   -0.2554 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0137    1.0641   -0.0532 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2896    2.5017   -0.0125 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.1315    0.8208   -0.5333 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -3.0518    0.8667   -0.5149 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8687   -0.5153    0.3076 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9317   -1.5683    0.9416 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2517   -2.2236    0.2789 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6101    2.4465   -0.4052 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