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

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
    2.7309    0.5039   -0.5164 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6264    1.0377   -0.0442 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3500    0.3511    0.0361 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1913   -0.9490   -0.3876 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0168   -1.6312   -0.3231 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0919   -0.9469    0.1953 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9692    0.3723    0.6350 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7497    1.0100    0.5517 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3839    1.1853    1.2860 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.7760   -0.5098   -0.8899 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6718    1.0357   -0.5665 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7099    2.0790    0.3063 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0296   -1.5189   -0.8048 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1480   -2.6513   -0.6538 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0601   -1.4203    0.2732 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6663    2.0523    0.9026 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