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
    2.7513    0.6744    0.3288 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9115   -0.3097    0.4000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4785   -0.2027    0.1277 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1103    0.9873   -0.2366 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4881    1.0581   -0.4913 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2682    2.7305   -0.9950 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -2.2767   -0.0710   -0.3795 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6957   -1.2742   -0.0136 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3446   -1.3013    0.2268 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4391   -2.9627    0.7287 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -4.1499    0.0347   -0.7278 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.7982    0.5089    0.5470 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4845    1.6982    0.0569 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3073   -1.2971    0.6863 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5060    1.8711   -0.3243 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3429   -2.1446    0.0658 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