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
   -2.8372   -0.2147   -0.0209 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7399   -0.7103    0.4788 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4008   -0.2355    0.1864 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6453   -1.1659    0.1975 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9286   -0.7759   -0.0461 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3387   -2.0608   -0.0260 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.2126    0.5283   -0.3045 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1979    1.4356   -0.3154 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1267    1.0678   -0.0692 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4582    2.4640   -0.0679 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.0349    1.0506   -0.6460 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -3.8086   -0.6640    0.2819 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9040    0.5772   -0.7170 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8727   -1.5593    1.1779 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3815   -2.2155    0.4103 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4086    2.4786   -0.5197 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