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
   -2.9130    0.0429    0.3866 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4924    0.3936    0.0484 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7043   -0.4536   -0.5597 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5944   -0.0985   -0.8549 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6586   -0.3145    0.0040 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4537   -0.8546    1.1016 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0199    0.1093   -0.4174 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8616    1.9656    0.4699 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.3177    0.8273    1.0652 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5428   -0.0210   -0.5251 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9498   -0.9369    0.9117 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0913   -1.4255   -0.8212 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1613    0.0441   -1.5170 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1790    1.1780   -0.1507 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8059   -0.4562    0.1315 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