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
   -2.8346    0.0788    0.2033 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8487   -0.5857   -0.3381 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4584   -0.2163   -0.1588 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5096   -1.2403   -0.0706 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8370   -0.9414    0.0747 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1184   -2.3782    0.1902 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.3006    0.3424    0.1424 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3753    1.3479    0.0577 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0211    1.0581   -0.0910 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2077    2.5167   -0.2596 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.1656    0.6555    0.3461 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -2.7718    0.9498    0.8305 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8873   -0.2357    0.0393 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1357   -1.4526   -0.9457 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1397   -2.2745   -0.1248 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6769    2.3755    0.1044 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