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
    2.8337    0.1645    0.0447 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8350   -0.6565   -0.1484 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4363   -0.2635   -0.0603 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0256    1.0163    0.2362 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3215    1.3719    0.3158 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3085    0.4388    0.0968 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9112   -0.8469   -0.2011 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5848   -1.1946   -0.2789 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1892   -2.0399   -0.4811 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.7082    1.2100    0.2874 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8670   -0.1722   -0.0312 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0774   -1.6789   -0.3856 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7987    1.7605    0.4108 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5973    2.3890    0.5515 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3705    0.6993    0.1549 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2990   -2.1976   -0.5113 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