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
   -3.4530   -2.3101    0.1781 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.1049   -0.6039   -0.0647 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6336   -0.3159   -0.0523 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8941   -0.3552   -1.2151 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4579   -0.0893   -1.1956 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1440    0.2266   -0.0365 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4003    0.2645    1.1224 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9704   -0.0033    1.1141 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5788    0.4984   -0.0820 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3147    0.8032    0.9451 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6529    0.0387    0.6512 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4542   -0.2648   -1.0835 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4354   -0.6030   -2.1203 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0155   -0.1269   -2.1236 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9088    0.5102    2.0549 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5340    0.0320    2.0344 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0649    0.4373   -1.0706 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3642    0.9885    0.8259 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8834    0.8731    1.9216 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