Monomers

Allyl chloroacetate

Identifiers

IUPAC name
prop-2-enyl 2-chloroacetate
InchI
InChI=1S/C5H7ClO2/c1-2-3-8-5(7)4-6/h2H,1,3-4H2
InchI Key
VMBJJCDVORDOCF-UHFFFAOYSA-N
SMILES
ClCC(=O)OCC=C
Canonical SMILES
C=CCOC(=O)CCl
Isomeric SMILES
C=CCOC(=O)CCl
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
0.9544
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
    3.7349    1.2218   -0.6979 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.6802   -0.2029   -0.7355 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4095    0.0946   -0.0018 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2453    1.2378    0.5205 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4053   -0.8164    0.1345 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8077   -0.6106    0.8047 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6108    0.5010    0.2331 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8038    0.2308   -0.2274 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1742   -1.0950   -0.3163 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4386   -0.4358   -1.8026 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3822   -1.5548    0.8321 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6475   -0.3382    1.8898 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2376    1.5263    0.1871 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1868   -0.7659   -0.1912 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4117    1.0072   -0.6468 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
  3  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  3
  2  9  1  0
  2 10  1  0
  6 11  1  0
  6 12  1  0
  7 13  1  0
  8 14  1  0
  8 15  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers