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
    2.9317    1.6097    1.4212 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.3914    0.7060    0.0095 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1133    0.0344    0.3233 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6076    0.1748    1.4593 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4234   -0.7575   -0.5774 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7922   -1.3548   -0.2106 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8956   -0.4276    0.0724 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8750    0.8830    0.0131 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3308    1.3236   -0.9067 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1429   -0.1003   -0.1755 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6725   -1.9892    0.7192 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1068   -2.0866   -1.0137 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8690   -0.8753    0.3738 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7512    1.4652    0.2458 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9789    1.3945   -0.2853 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