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
   -2.7958   -1.2803    0.1483 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6586   -0.8058    0.0950 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3712   -0.2685    0.0346 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7869   -0.6668    0.6633 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0112   -0.0262    0.5284 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5405   -0.6791    1.4479 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.1130    1.0778   -0.2734 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9948    1.5282   -0.9301 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1990    0.8969   -0.7931 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7540    1.5230   -1.7069 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.7463    2.0169   -0.5084 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -3.2981   -1.8646    0.8784 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4769   -1.0752   -0.7368 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4680   -1.2431    1.4208 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7312   -1.5546    1.3049 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0976    2.4216   -1.5728 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