Monomers

2-Chloroprop-1-enyl acetate

Identifiers

IUPAC name
2-chloroprop-1-enyl acetate
InchI
InChI=1S/C5H7ClO2/c1-4(6)3-8-5(2)7/h3H,1-2H3
InchI Key
OPZZKYKMMQTPEL-UHFFFAOYSA-N
SMILES
CC(=COC(=O)C)Cl
Canonical SMILES
CC(=COC(=O)C)Cl
Isomeric SMILES
CC(=COC(=O)C)Cl
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C5H7ClO2
Heavy Atom Count
8
Molecular Weight
134.562
Exact Molecular Weight
134.0135
Valence Electrons
46
Radical Electrons
0
tPSA
26.3
MolLogP
1.6496
H Bond Acceptors
2
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
0

MOL File


     RDKit          3D

 15 14  0  0  0  0  0  0  0  0999 V2000
   -2.9414    0.2154   -0.3477 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5285   -0.1720   -0.5919 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5615    0.7301   -0.5516 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7691    0.3647   -0.7816 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6235   -0.0308    0.2157 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1910   -0.0675    1.3966 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0425   -0.4254    0.0057 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2247   -1.8619   -0.9297 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.6545   -0.4719   -0.8183 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0706    0.2708    0.7548 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0828    1.2172   -0.8276 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8185    1.7588   -0.3370 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6901    0.4800   -0.0161 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1795   -0.9207   -0.9870 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3869   -1.0868    0.8255 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  3
  3  4  1  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  2  8  1  0
  1  9  1  0
  1 10  1  0
  1 11  1  0
  3 12  1  0
  7 13  1  0
  7 14  1  0
  7 15  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers