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
   -3.8160   -0.8814    1.1426 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.1573    0.1943   -0.1118 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6647    0.0667   -0.1171 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8639    0.8719    0.6641 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5184    0.7379    0.6451 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1460   -0.1837   -0.1362 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3367   -0.9901   -0.9192 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0355   -0.8683   -0.9103 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5873   -0.3501   -0.1801 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4196    0.3649    0.5226 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4941    1.2094    0.1182 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5722   -0.1728   -1.0885 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3237    1.6078    1.2910 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0855    1.4016    1.2822 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8427   -1.7327   -1.5486 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6217   -1.5201   -1.5382 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0186   -1.1134   -0.8336 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0905    1.1326    1.1876 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5038    0.2255    0.4769 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