Monomers

2,4-Dibromostyrene

Identifiers

IUPAC name
2,4-dibromo-1-ethenylbenzene
InchI
InChI=1S/C8H6Br2/c1-2-6-3-4-7(9)5-8(6)10/h2-5H,1H2
InchI Key
NTHFKMZKTASAMH-UHFFFAOYSA-N
SMILES
C=Cc1ccc(cc1Br)Br
Canonical SMILES
C=CC1=C(C=C(C=C1)Br)Br
Isomeric SMILES
C=CC1=C(C=C(C=C1)Br)Br
Resources

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C8H6Br2
Heavy Atom Count
10
Molecular Weight
261.944
Exact Molecular Weight
259.8836
Valence Electrons
52
Radical Electrons
0
tPSA
0.0
MolLogP
3.8546
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
    2.6400   -0.9871    0.0522 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9413    0.1151   -0.0833 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4993    0.1213   -0.0347 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2611   -1.0101    0.1548 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6615   -0.9599    0.1957 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3274    0.2368    0.0456 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5829    1.3802   -0.1451 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2060    1.3121   -0.1825 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8381    2.8983   -0.4475 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -4.2254    0.2911    0.1030 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.2364   -1.9760    0.2091 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7366   -0.9741    0.0127 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4726    1.0353   -0.2347 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2346   -1.9605    0.2751 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2460   -1.8500    0.3443 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0887    2.3275   -0.2646 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  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  6 10  1  0
  8  3  1  0
  1 11  1  0
  1 12  1  0
  2 13  1  0
  4 14  1  0
  5 15  1  0
  7 16  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers