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
    3.8792    0.4983   -1.2934 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.1264    0.0153    0.2238 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6409   -0.0623    0.1114 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8544    1.0361    0.3781 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5355    0.9408    0.2666 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1439   -0.2357   -0.1071 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2867   -1.3134   -0.3636 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0699   -1.2502   -0.2632 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5803   -0.3686   -0.2323 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4138    0.6145   -0.0017 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3269    0.8318    0.9683 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4965   -0.9571    0.6060 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2915    1.9792    0.6746 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1134    1.8195    0.4830 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7732   -2.2290   -0.6552 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7240   -2.0935   -0.4649 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9708   -1.3308   -0.5312 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4990    0.5077   -0.0981 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0930    1.5973    0.2989 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