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
   -2.7042    0.6180   -0.0676 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8892   -0.3880   -0.2332 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4558   -0.2650   -0.0951 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3971   -1.3621   -0.2786 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7636   -1.2551   -0.1493 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3440   -0.0501    0.1687 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5021    1.0215    0.3472 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1160    0.9434    0.2230 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2045    2.5673    0.7520 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.7884    0.4442   -0.1903 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4499    1.6322    0.1821 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2750   -1.3788   -0.4877 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0930   -2.3020   -0.5295 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3773   -2.1279   -0.3002 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4337    0.0468    0.2745 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4826    1.8554    0.3840 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