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
    4.0337    0.6473    0.6266 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.0807   -0.3927   -0.4537 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6296   -0.2876   -0.1733 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9728   -1.0955    0.7255 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3741   -0.9821    0.9715 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1403   -0.0186    0.3004 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5094    0.7888   -0.5913 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8688    0.6556   -0.8276 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5530    0.0388    0.6141 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3165    0.9154    0.0209 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2403   -0.0446   -1.4973 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4223   -1.4460   -0.4170 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5528   -1.8552    1.2610 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8466   -1.6545    1.7005 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0745    1.5368   -1.1200 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2989    1.3259   -1.5436 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9734   -0.6674    1.3599 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9491    1.6007   -0.6925 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3628    0.9352    0.2736 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