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
   -2.6137   -1.1599    0.1475 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9894   -0.0211   -0.0109 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5389    0.1069   -0.0190 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3298   -0.9503    0.1379 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7087   -0.7678    0.1214 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8080   -2.3171    0.3501 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.2854    0.4693   -0.0511 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4221    1.5301   -0.2085 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0590    1.3625   -0.1940 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0987    2.8677   -0.4168 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.1729    0.7026   -0.0713 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -2.0750   -2.0719    0.2816 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6896   -1.2101    0.1471 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5648    0.8861   -0.1446 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0989   -1.9418    0.2763 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8830    2.5149   -0.3458 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