Monomers

2-Chlorostyrene

Identifiers

IUPAC name
1-chloro-2-ethenylbenzene
InchI
InChI=1S/C8H7Cl/c1-2-7-5-3-4-6-8(7)9/h2-6H,1H2
InchI Key
ISRGONDNXBCDBM-UHFFFAOYSA-N
SMILES
C=Cc1ccccc1Cl
Canonical SMILES
C=CC1=CC=CC=C1Cl
Isomeric SMILES
C=CC1=CC=CC=C1Cl
Resources

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C8H7Cl
Heavy Atom Count
9
Molecular Weight
138.597
Exact Molecular Weight
138.0236
Valence Electrons
46
Radical Electrons
0
tPSA
0.0
MolLogP
2.983
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
    2.5604   -0.9486    0.3034 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8526    0.0324   -0.2094 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4146    0.0820   -0.0915 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3159   -0.8805    0.5579 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6892   -0.7785    0.6380 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3304    0.2987    0.0609 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5887    1.2691   -0.5944 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2206    1.1746   -0.6784 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7266    2.4155   -1.5163 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.6584   -0.9631    0.1994 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1395   -1.7642    0.8334 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3899    0.8052   -0.7258 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1701   -1.7397    1.0209 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2822   -1.5243    1.1440 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4131    0.3851    0.1204 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0721    2.1365   -1.0625 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
  8  3  1  0
  1 10  1  0
  1 11  1  0
  2 12  1  0
  4 13  1  0
  5 14  1  0
  6 15  1  0
  7 16  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers