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
    3.8047    0.4400   -1.2995 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.1454   -0.0895    0.2883 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6665   -0.1160    0.2074 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0042   -1.2536   -0.1895 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3688   -1.2934   -0.2695 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1458   -0.1633    0.0546 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4879    0.9696    0.4498 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8823    0.9821    0.5209 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5936   -0.2451   -0.0424 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4108    0.7413    0.2335 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5259    0.6418    1.0318 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4742   -1.1243    0.5117 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5736   -2.1410   -0.4460 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8932   -2.1846   -0.5807 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0364    1.8490    0.7048 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4029    1.8887    0.8369 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0397   -1.1887   -0.3664 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0007    1.6822    0.5549 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5029    0.6050    0.1364 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