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
    3.8645   -0.4450    0.8810 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.1009    0.1478   -0.5952 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6117    0.1275   -0.3622 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8751   -0.9816   -0.6717 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5011   -0.9380   -0.4319 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1241    0.1643    0.0953 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3226    1.2589    0.3886 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0400    1.2568    0.1670 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5743    0.2092    0.3476 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3979   -0.7715    0.1018 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4067    1.1894   -0.7662 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3733   -0.5277   -1.4317 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3365   -1.8570   -1.0849 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0776   -1.8279   -0.6825 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7912    2.1270    0.8002 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6749    2.0983    0.3895 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0093    1.1311    0.7746 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0423   -1.6919   -0.3117 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4432   -0.6700    0.3104 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