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
   -2.7405   -0.7239    0.2344 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9077    0.2676    0.4154 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4823    0.1858    0.1437 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1384   -0.9476   -0.3336 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4946   -1.0277   -0.5930 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3166   -2.6214   -1.2553 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.2524    0.0993   -0.3548 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6526    1.2467    0.1235 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2997    1.3144    0.3783 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5163    2.9207    1.0438 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.1226    0.0124   -0.7047 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -3.8012   -0.5925    0.4597 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3720   -1.6594   -0.1349 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2975    1.2300    0.7972 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4339   -1.8180   -0.5198 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2746    2.1138    0.3001 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