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
    3.3581    1.4542   -0.0942 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.3777    0.2532    0.7658 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1441   -0.0394   -0.0401 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9822    0.5570   -1.1298 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2207   -0.9618    0.4465 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9366   -1.2599   -0.2592 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8857   -0.1579   -0.4579 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7919    1.0829   -0.0511 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0990    0.7002    1.7464 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9942   -0.6541    0.9083 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7201   -1.6936   -1.2811 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5166   -2.0874    0.2415 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7918   -0.4297   -1.0273 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9520    1.4551    0.5123 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5814    1.7812   -0.2801 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