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
   -2.7812   -0.0309    0.4894 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9015   -0.3021   -0.4266 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4916   -0.0905   -0.2077 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4149   -1.0449   -0.7109 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7748   -0.8944   -0.5607 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9766   -2.2280   -1.2668 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.2900    0.2056    0.0927 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4285    1.1450    0.5886 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0480    0.9752    0.4256 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1027    2.3531    1.0891 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.1834    0.3534    0.2677 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -2.5121    0.3537    1.4362 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8361   -0.2031    0.2817 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2789   -0.7011   -1.3786 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0053   -1.9105   -1.2257 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7932    2.0197    1.1060 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