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
    3.8453   -1.3753    0.6344 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.1333    0.2360    0.3106 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6475    0.1507    0.2255 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8514    0.3067    1.3363 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5210    0.2336    1.2901 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1792   -0.0087    0.0795 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3829   -0.1641   -1.0284 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0130   -0.0871   -0.9659 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6178   -0.0766    0.0808 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3118   -0.2983   -1.0027 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5230    0.5609   -0.6777 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4283    0.9714    1.0703 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3397    0.4950    2.2839 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1283    0.3594    2.1763 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8588   -0.3519   -1.9762 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5934   -0.2176   -1.8723 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1566    0.0569    0.9932 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8154   -0.4387   -1.9429 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4031   -0.3522   -1.0149 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