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
   -3.7328    1.0693   -0.9634 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.1284    0.0282    0.3328 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6532   -0.0346    0.2101 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8366    0.8674    0.8537 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5550    0.7665    0.7063 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1479   -0.2010   -0.0586 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2765   -1.0954   -0.6936 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0943   -1.0219   -0.5681 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5725   -0.3292   -0.2285 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4187    0.4706    0.3360 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5468   -0.9758    0.3343 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3817    0.5185    1.3095 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2881    1.6406    1.4638 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1533    1.4925    1.2272 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7433   -1.8723   -1.3073 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7057   -1.7624   -1.0994 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9366   -1.1456   -0.8669 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0800    1.2770    0.9656 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4839    0.3076    0.1580 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