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
   -3.9493   -0.7856    0.5366 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.9112   -0.5662   -0.9124 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000   -0.3901   -0.4994 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0409    0.8784   -0.2555 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2710    1.1109    0.1347 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0853    0.0131    0.2645 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6122   -1.2619    0.0160 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6883   -1.4963   -0.3711 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4815    0.1823    0.6727 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0631    1.3199    0.9396 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2756    0.3527   -1.4470 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0211   -1.4761   -1.5262 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6724    1.7656   -0.3529 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6115    2.1419    0.3238 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2564   -2.1317    0.1186 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0389   -2.5024   -0.5608 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1046   -0.7268    0.7655 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0923    1.3360    1.2306 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5197    2.2362    0.8698 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