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
   -3.9538   -0.9913    0.1812 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.0810    0.5616    0.1064 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6180    0.3143    0.1352 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8862    0.1297   -1.0149 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4948   -0.1003   -0.9212 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1213   -0.1434    0.2946 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3813    0.0438    1.4669 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9719    0.2671    1.3363 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5602   -0.3850    0.3553 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3120   -0.5675   -0.6898 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3998    1.0661   -0.8317 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3553    1.1842    0.9817 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3855    0.1640   -1.9840 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0192   -0.2383   -1.8534 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8977    0.0056    2.4173 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5417    0.4123    2.2600 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0654   -0.4196    1.3377 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9638   -0.5615   -1.7094 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3776   -0.7419   -0.5582 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