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
    3.7542    0.5296    1.3797 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.0913    0.6932   -0.2606 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6506    0.2956   -0.2706 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6474    1.2119   -0.0405 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7077    0.8675   -0.0441 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0882   -0.4273   -0.2830 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0745   -1.3502   -0.5149 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2589   -1.0034   -0.5098 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4803   -0.8726   -0.3048 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4942   -0.0805   -0.0990 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2003    1.7504   -0.6273 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6234    0.0641   -0.9947 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9492    2.2438    0.1500 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4508    1.6231    0.1416 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3810   -2.3794   -0.7047 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0454   -1.7383   -0.6935 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7085   -1.9352   -0.5050 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3385    0.9570    0.0996 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4969   -0.4494   -0.1243 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