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
    2.6862   -0.7546    0.4419 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9322    0.2993    0.3131 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5117    0.1736    0.0824 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1902   -1.0009   -0.0253 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5723   -1.0371   -0.2503 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4604   -2.6936   -0.3856 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -2.2961    0.1257   -0.3748 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5894    1.3031   -0.2663 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2276    1.3529   -0.0447 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7003    3.0082    0.0970 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -4.1767    0.0909   -0.6810 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.2697   -1.7309    0.3796 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7708   -0.7004    0.6183 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4350    1.2667    0.3895 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3564   -1.9327    0.0690 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1495    2.2299   -0.3628 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