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
   -3.9731   -1.0526   -0.6014 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.9073    0.2071   -1.2061 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5352    0.1316   -0.6383 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2804    0.8341    0.5361 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0321    0.7957    1.0980 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0122    0.0631    0.5228 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7566   -0.6279   -0.6349 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5195   -0.5898   -1.2110 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3081    0.0755    1.1839 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3468   -0.5839    0.7154 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2800    1.2353   -0.9958 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8274    0.1634   -2.3321 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0780    1.4016    0.9872 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1340    1.3537    2.0128 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5354   -1.2059   -1.1111 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7262   -1.1309   -2.1206 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4481    0.6500    2.1103 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3091   -1.1713   -0.1794 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3090   -0.5487    1.2451 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