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
   -3.3356   -2.1867   -0.4812 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.0451   -0.4159   -0.4950 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6431   -0.1930   -0.0723 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6467   -0.1584   -1.0233 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6992    0.0487   -0.6866 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0569    0.2249    0.6276 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0492    0.1870    1.5600 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2787   -0.0156    1.2456 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4470    0.4394    0.9823 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4451    0.4832    0.1260 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7827    0.0237    0.2019 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1888   -0.0765   -1.5198 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9395   -0.2987   -2.0603 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4254    0.0635   -1.4856 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3518    0.3296    2.6069 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0430   -0.0387    2.0104 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6510    0.5725    2.0597 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4497    0.6482    0.4822 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3278    0.3629   -0.9350 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