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

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
   -2.9203   -0.0688   -0.1543 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4715   -0.3043   -0.3790 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6191   -0.3623    0.6283 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7315   -0.5826    0.4088 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6209    0.4621    0.2108 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1664    1.6331    0.2352 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0477    0.1197   -0.0161 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9466   -0.5013   -2.0371 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.3360    0.6255   -0.9103 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4181   -1.0666   -0.1921 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0904    0.3182    0.8730 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9372   -0.2416    1.6513 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0460   -0.7989   -0.6613 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5260   -0.1774    0.9414 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6006    0.9451   -0.5197 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