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
   -2.6798   -0.8883    0.4424 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9798    0.1500    0.0445 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5267    0.1577   -0.0294 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2538   -0.9237    0.3111 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6523   -0.9034    0.2355 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7053   -2.3990    0.7078 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.2868    0.2393   -0.1958 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5435    1.3312   -0.5419 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1645    1.2811   -0.4568 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9048    2.7971   -0.9354 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.2050    0.3289   -0.3212 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -2.2180   -1.8184    0.7455 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7754   -0.8008    0.4654 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5145    1.0460   -0.2432 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2225   -1.8492    0.6586 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0103    2.2515   -0.8871 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