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
   -2.8021   -0.1343    0.5365 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9131   -0.3144   -0.3976 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4973   -0.0958   -0.2021 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4224   -0.9133   -0.8900 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7730   -0.7361   -0.7600 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0161   -1.8651   -1.7096 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.3258    0.2387    0.0399 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4434    1.0454    0.7173 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0536    0.8758    0.5932 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0833    2.0914    1.5403 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.2163    0.4380    0.1831 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -2.6487    0.1865    1.5541 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8856   -0.3154    0.3333 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2805   -0.6510   -1.3802 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0085   -1.6752   -1.5155 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8516    1.8247    1.3572 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