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
    3.7543   -0.4158    1.4284 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.1259    0.1351   -0.1479 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6347    0.1011   -0.0432 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0021    1.2377    0.4078 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3590    1.2373    0.5143 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1409    0.1531    0.1924 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4798   -0.9677   -0.2553 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9088   -1.0147   -0.3805 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5805    0.2469    0.3383 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3948   -0.7494    0.0500 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4804   -0.5666   -0.9483 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4105    1.1821   -0.3737 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5573    2.1404    0.6833 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8356    2.1425    0.8713 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0254   -1.8389   -0.5203 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4327   -1.8778   -0.7265 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0085    1.1934    0.7062 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4626   -0.6501    0.1687 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0199   -1.6888   -0.3113 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