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
    3.8203    1.1749   -0.8098 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.1088    0.2149    0.4980 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6377    0.0649    0.3201 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1303   -0.9876   -0.3882 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2043   -1.2198   -0.6119 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1013   -0.2941   -0.0627 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6133    0.7761    0.6561 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7512    0.9709    0.8571 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5212   -0.4968   -0.2721 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4359    0.3255    0.2091 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3223    0.7459    1.4447 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5540   -0.7987    0.5707 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8207   -1.7063   -0.8149 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5880   -2.0608   -1.1767 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2556    1.5161    1.0991 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1362    1.8066    1.4186 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8538   -1.3709   -0.8554 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2122    1.1959    0.7841 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4958    0.1431    0.0328 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