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
    3.9184    1.3111    0.1545 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.1223   -0.2668    0.3822 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6573   -0.1766    0.1157 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7775    0.1269    1.1313 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5959    0.2182    0.9133 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1359    0.0079   -0.3334 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2364   -0.2977   -1.3498 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1244   -0.3891   -1.1383 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5589    0.0860   -0.6372 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4411    0.3729    0.2998 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6189   -0.9746   -0.3031 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3378   -0.5962    1.4057 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1952    0.2971    2.1315 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2451    0.4578    1.7368 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6702   -0.4657   -2.3469 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8052   -0.6271   -1.9390 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9419   -0.0869   -1.6338 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2147    0.5703    1.3379 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5169    0.4325    0.0729 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