Monomers

3-Chlorostyrene

Identifiers

IUPAC name
1-chloro-3-ethenylbenzene
InchI
InChI=1S/C8H7Cl/c1-2-7-4-3-5-8(9)6-7/h2-6H,1H2
InchI Key
BOVQCIDBZXNFEJ-UHFFFAOYSA-N
SMILES
C=Cc1cccc(c1)Cl
Canonical SMILES
C=CC1=CC(=CC=C1)Cl
Isomeric SMILES
C=CC1=CC(=CC=C1)Cl
Resources
cid=

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
   -2.6336    0.8154   -0.0873 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8680   -0.1961   -0.3577 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4265   -0.1876   -0.1362 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2932   -1.3465   -0.4698 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6482   -1.3641   -0.2714 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2715   -0.2574    0.2456 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5724    0.8789    0.5736 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1928    0.9172    0.3794 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3243    2.3096    1.2337 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.2563    1.7238    0.3167 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6929    0.7590   -0.2692 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3593   -1.0863   -0.7719 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2376   -2.2154   -0.8819 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1757   -2.2709   -0.5378 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3456   -0.2962    0.3933 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3495    1.8166    0.6407 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
  7  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
  8 16  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers