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
    3.7309   -1.5828    0.4887 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.1203    0.0692    0.3752 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6454    0.0560    0.3031 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8185    0.1068    1.4050 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5518    0.0929    1.3040 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1791    0.0253    0.0551 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3639   -0.0255   -1.0465 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0335   -0.0106   -0.9291 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6313    0.0126   -0.0131 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2860   -0.0486   -1.1302 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4392    0.6313    1.2805 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5636    0.6045   -0.4871 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3125    0.1593    2.3732 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1985    0.1337    2.1868 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7825   -0.0785   -2.0340 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6657   -0.0520   -1.8225 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2143    0.0568    0.9288 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7652   -0.0930   -2.0663 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3570   -0.0575   -1.1714 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