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
    3.6068   -0.4587    1.6748 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.0622   -0.5878   -0.0207 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6147   -0.2393   -0.0298 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6734   -1.2201    0.1415 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6809   -0.9072    0.1350 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0781    0.3907   -0.0439 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1088    1.3833   -0.2177 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2227    1.0760   -0.2114 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4568    0.7919   -0.0626 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4214   -0.0700    0.0921 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2064   -1.6120   -0.4204 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5907    0.1284   -0.6815 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0150   -2.2315    0.2800 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3578   -1.7243    0.2746 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4154    2.4201   -0.3609 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9486    1.8657   -0.3484 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7132    1.8359   -0.2084 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2489   -1.1415    0.2445 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4593    0.3003    0.0679 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