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
   -2.8206    0.3297    0.1324 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8519   -0.3174   -0.4529 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4347   -0.1557   -0.1810 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4688   -0.3019   -1.2596 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8104   -0.1782   -1.0285 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0347   -0.3747   -2.4817 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.2695    0.0860    0.2442 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4281    0.2309    1.2993 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0435    0.1046    1.0721 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1336    0.2582    2.5768 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.1374    0.2522    0.5281 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -3.8554    0.1064   -0.1697 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7189    1.0901    0.8802 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1542   -1.0577   -1.2293 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0371   -0.5111   -2.2455 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7400    0.4385    2.3151 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