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
cid=

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
   -2.8531   -0.1542    0.0080 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8328    0.6623    0.0806 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4349    0.2533    0.0287 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0510   -1.0472   -0.1033 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3065   -1.4088   -0.1502 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2930   -0.4739   -0.0657 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9193    0.8532    0.0688 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5863    1.2095    0.1150 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0508    3.0283    0.2996 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.1317   -0.9867   -0.1315 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -2.6624   -1.2002   -0.0971 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8616    0.2126    0.0526 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0840    1.7267    0.1880 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7974   -1.8247   -0.1742 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5766   -2.4464   -0.2552 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7129    1.5964    0.1359 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