Monomers

1-(Chloromethyl)-4-vinylbenzene

Identifiers

IUPAC name
1-(chloromethyl)-4-ethenylbenzene
InchI
InChI=1S/C9H9Cl/c1-2-8-3-5-9(7-10)6-4-8/h2-6H,1,7H2
InchI Key
ZRZHXNCATOYMJH-UHFFFAOYSA-N
SMILES
ClCc1ccc(cc1)C=C
Canonical SMILES
C=CC1=CC=C(C=C1)CCl
Isomeric SMILES
C=CC1=CC=C(C=C1)CCl
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C9H9Cl
Heavy Atom Count
10
Molecular Weight
152.624
Exact Molecular Weight
152.0393
Valence Electrons
52
Radical Electrons
0
tPSA
0.0
MolLogP
3.0684
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

 19 19  0  0  0  0  0  0  0  0999 V2000
    3.4985   -0.1075   -1.9821 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.0979    0.3342   -0.3102 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6244    0.1580   -0.1519 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7310    1.1723   -0.4030 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6265    0.9147   -0.2283 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0723   -0.2985    0.1781 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1632   -1.2901    0.4211 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1865   -1.0776    0.2608 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5086   -0.5829    0.3666 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4554    0.2935    0.1621 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3966    1.3913   -0.1775 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6160   -0.3402    0.3980 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0896    2.1468   -0.7295 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2869    1.7287   -0.4338 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5125   -2.2814    0.7521 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9031   -1.8946    0.4633 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8023   -1.5818    0.6960 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4799    0.0250    0.3168 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2359    1.2902   -0.1614 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  6  9  1  0
  9 10  2  3
  8  3  1  0
  2 11  1  0
  2 12  1  0
  4 13  1  0
  5 14  1  0
  7 15  1  0
  8 16  1  0
  9 17  1  0
 10 18  1  0
 10 19  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers