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
   -2.8393   -0.0715    0.5022 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8095   -0.6525   -0.0551 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4385   -0.2340   -0.0708 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5553   -1.2385   -0.0851 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8795   -0.8781   -0.1232 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2477   -2.2126   -0.1433 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.2468    0.4521   -0.1478 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2986    1.4472   -0.1353 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0479    1.0662   -0.0969 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3342    2.4684   -0.1340 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.1113    0.8834   -0.1997 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -2.7520    0.8440    1.0455 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8581   -0.4899    0.4455 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0664   -1.6007   -0.5827 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2405   -2.2662   -0.0653 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5661    2.4826   -0.1539 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