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
   -2.5156   -1.2886    0.0332 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9709   -0.1077   -0.1411 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5372    0.0949   -0.0615 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3559   -0.9428    0.2038 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7116   -0.7000    0.2696 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9335   -2.1113    0.6309 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.2261    0.5646    0.0773 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3786    1.6129   -0.1862 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0140    1.3493   -0.2489 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2222    2.7767   -0.6144 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.0956    0.9204    0.1641 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -1.9838   -2.1961    0.2449 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6083   -1.4075   -0.0341 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5917    0.7470   -0.3503 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0125   -1.9466    0.3598 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7268    2.6348   -0.3472 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