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
    3.6129    0.5805   -1.9178 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.1222   -0.0154   -0.3012 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6469   -0.0752   -0.2305 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8954    0.9926    0.2012 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5004    0.9430    0.2705 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1153   -0.2164   -0.1087 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3859   -1.3266   -0.5543 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9846   -1.2242   -0.6031 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5727   -0.3284   -0.0580 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3665    0.6319    0.3376 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6270   -0.9485   -0.0641 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5018    0.7541    0.4224 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3704    1.9247    0.5073 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0503    1.8162    0.6195 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8759   -2.2335   -0.8504 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5908   -2.0679   -0.9449 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0404   -1.2622   -0.3652 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4305    0.4727    0.3468 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0140    1.5824    0.6580 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