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
   -2.8174    0.0349    0.5594 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8730   -0.3803   -0.2264 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4456   -0.1328   -0.1327 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4453   -1.0991   -0.6482 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7998   -0.9362   -0.6215 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9960   -2.2558   -1.3249 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.2821    0.2281   -0.0625 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4323    1.1804    0.4439 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0399    1.0156    0.4170 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0638    2.4288    1.1116 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.1836    0.4403   -0.0322 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -2.7256    0.6467    1.4414 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8798   -0.2330    0.3631 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2392   -1.0091   -1.0793 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0335   -2.0011   -1.0798 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8318    2.0727    0.8712 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