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
   -3.7714    0.2506   -1.6766 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.1471    0.0900   -0.0291 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6632   -0.0020   -0.0045 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0631   -1.2427   -0.0826 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3120   -1.3658   -0.0626 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1602   -0.2516    0.0369 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5574    0.9721    0.1137 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8385    1.0875    0.0927 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5998   -0.4384    0.0536 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4094    0.5904    0.1461 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6021   -0.8029    0.4624 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5117    1.0037    0.5244 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7124   -2.1168   -0.1603 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7904   -2.3365   -0.1236 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1375    1.8551    0.1906 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3206    2.0668    0.1542 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0409   -1.4300   -0.0097 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5049    0.4467    0.1588 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1174    1.6239    0.2156 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