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
    3.7855    0.6974   -1.5037 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.1536   -0.0433   -0.0143 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6746   -0.0774   -0.0185 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9956   -1.1623   -0.5409 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3829   -1.2217   -0.5583 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1573   -0.1849   -0.0472 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4887    0.8940    0.4722 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9121    0.9525    0.4891 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6228   -0.2802   -0.0815 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4243    0.6417    0.3741 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5748    0.5211    0.8416 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5280   -1.1002    0.0992 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5934   -1.9802   -0.9439 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9191   -2.0656   -0.9646 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0386    1.7201    0.8789 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4261    1.8151    0.9046 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0888   -1.1814   -0.5164 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0358    1.5394    0.8079 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4852    0.5160    0.3217 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