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
   -2.6460   -0.7489   -0.6116 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9193    0.3258   -0.4222 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5054    0.2008   -0.1083 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1660   -0.9932    0.0126 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5342   -1.0467    0.3180 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3627   -2.7534    0.4614 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.2542    0.1116    0.5080 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6178    1.3073    0.3950 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2758    1.3488    0.0952 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6401    3.0275   -0.0685 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.1075    0.0018    0.9207 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -2.3013   -1.7711   -0.5595 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7205   -0.6253   -0.8494 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3693    1.2942   -0.4992 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3881   -1.9200   -0.1346 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1717    2.2407    0.5423 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