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
    2.8124    0.1432    0.0090 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8188   -0.6941    0.0388 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4300   -0.2519    0.0129 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0343    1.0625   -0.0443 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3070    1.3890   -0.0652 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3129    0.4486   -0.0312 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9288   -0.8738    0.0263 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5943   -1.2092    0.0475 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2022   -2.0738    0.0698 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.7129    1.2170   -0.0365 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8621   -0.1899    0.0286 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0614   -1.7625    0.0849 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8066    1.8362   -0.0727 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5331    2.4550   -0.1111 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3511    0.7452   -0.0491 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3089   -2.2415    0.0923 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