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
    2.7332    0.1606   -0.7159 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8922    0.5246    0.2062 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4868    0.1762    0.1231 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0845   -0.5467   -0.8976 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4466   -0.8563   -0.9307 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2931   -0.4451    0.0736 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7439    0.2812    1.1082 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4019    0.5812    1.1323 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3334    1.5859    2.5723 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -4.1608   -0.8731    0.0224 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.4187   -0.4031   -1.5593 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7888    0.4417   -0.6205 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2478    1.0989    1.0528 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5189   -0.8998   -1.7155 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8657   -1.4222   -1.7401 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4232    0.5961    1.8886 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