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
   -3.0103   -0.2270   -0.0154 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7260    0.1026   -0.6430 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5978   -0.1056   -0.0071 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6401    0.2042   -0.5932 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8022   -0.0340    0.1184 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6860   -0.5293    1.2853 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1532    0.2652   -0.4286 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6717    0.7804   -2.2527 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.9241   -0.8877    0.8576 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5518    0.6944    0.3393 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7036   -0.7611   -0.7285 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6336   -0.5242    0.9869 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1471    1.1900   -1.0505 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5500   -0.5517   -1.0602 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8402    0.3838    0.4283 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