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
    2.6401    1.5439    2.8000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.6986    0.2363    1.5985 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4011    0.0391    0.9176 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1101    0.7289   -0.2393 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0794    0.5968   -0.9302 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0447   -0.2571   -0.4694 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7789   -0.9732    0.7049 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4065   -0.8130    1.3543 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3162   -0.4440   -1.1453 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5969    0.2061   -2.2406 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9794   -0.7198    2.1060 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5033    0.4847    0.8784 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8542    1.4155   -0.6333 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2165    1.1827   -1.8320 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5728   -1.6318    1.0241 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5830   -1.3811    2.2609 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0503   -1.1407   -0.7302 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5688    0.0349   -2.7185 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9519    0.8918   -2.7060 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