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
    3.8990   -1.2881   -0.5692 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.1461    0.1557    0.1801 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6655    0.0521    0.0565 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8845   -0.5506    1.0110 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5002   -0.6384    0.8784 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1591   -0.1296   -0.2090 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3595    0.4855   -1.1827 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9966    0.5623   -1.0358 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5989   -0.1816   -0.4200 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3756   -0.7456    0.4635 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4344    1.0405   -0.4594 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4394    0.2864    1.2209 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3801   -0.9665    1.8906 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0708   -1.1306    1.6723 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8724    0.8936   -2.0517 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5981    1.0481   -1.8112 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0601    0.2423   -1.3073 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4715   -0.7895    0.3110 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9756   -1.1825    1.3620 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