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
    3.6950    1.4562    0.8779 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.1482    0.0593   -0.0909 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6631   -0.0190   -0.0087 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0428   -0.7606    0.9947 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3191   -0.8531    1.0984 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1441   -0.1901    0.1784 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5360    0.5453   -0.8167 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8381    0.6283   -0.9073 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5867   -0.2995    0.3040 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3995    0.3053   -0.5361 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4998    0.1653   -1.1360 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6131   -0.8430    0.3716 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6561   -1.2849    1.7217 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8134   -1.4313    1.8806 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1004    1.0834   -1.5617 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3227    1.2026   -1.6843 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0051   -0.8876    1.1008 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4955    0.2061   -0.4188 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0789    0.9172   -1.3672 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