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
   -2.8084    0.5349    0.2921 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8933   -0.3999    0.3936 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4780   -0.2097    0.1275 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0776    0.9890   -0.2678 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4525    1.1116   -0.5102 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1537    2.7819   -1.0499 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.2973    0.0339   -0.3608 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7559   -1.1591    0.0308 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3942   -1.2651    0.2669 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3360   -2.9531    0.8156 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.1637    0.2255   -0.6965 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -2.5083    1.5244   -0.0099 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8668    0.3437    0.5037 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2452   -1.3794    0.7009 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5682    1.8414   -0.3894 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4092   -2.0200    0.1534 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