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
    3.5224    0.4655   -1.9572 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.1481   -0.0118   -0.2806 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6656   -0.1008   -0.1763 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9802   -1.2755   -0.4365 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3942   -1.3244   -0.3307 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1491   -0.2192    0.0354 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4677    0.9481    0.2939 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9145    0.9987    0.1879 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5799   -0.3021    0.1368 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3442    0.6959    0.4747 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5345    0.7052    0.4605 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5716   -1.0039   -0.0326 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5514   -2.1592   -0.7263 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9318   -2.2358   -0.5320 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9673    1.8610    0.5855 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4270    1.9433    0.4005 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0676   -1.2634   -0.0825 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9842    1.6852    0.7127 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4292    0.5934    0.5408 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