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
   -2.7614   -0.5813    0.3492 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9326    0.3146   -0.1463 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4861    0.1961   -0.1002 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1422   -0.8874    0.4790 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5348   -0.9811    0.5124 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4138   -2.4630    1.3044 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.2872    0.0248   -0.0419 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6720    1.0984   -0.6159 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3066    1.2022   -0.6551 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5994    2.6785   -1.4437 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.1939   -0.0729   -0.0127 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -2.3763   -1.4566    0.8185 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8473   -0.4611    0.2976 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3838    1.1807   -0.6098 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4037   -1.6967    0.9243 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2401    1.9048   -1.0599 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