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
   -2.4859    1.1635    0.5883 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9860    0.0204    0.1937 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5555   -0.1141    0.0178 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3472    0.8916    0.2385 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7150    0.7423    0.0640 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9124    2.1896    0.3912 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.2204   -0.4635   -0.3505 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3450   -1.4994   -0.5830 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0028   -1.3285   -0.4043 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1928   -2.7746   -0.7314 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.0993   -0.6720   -0.5913 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -1.9667    2.0673    0.8141 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5858    1.2016    0.7038 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6045   -0.8451   -0.0110 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0071    1.8651    0.5680 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7423   -2.4442   -0.9078 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