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
    4.2467   -0.2479    0.5216 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.7840    0.7453    0.3273 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5960   -0.1277    0.1247 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7575   -1.3796    0.1156 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3219    0.3423   -0.0550 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7622   -0.5803   -0.2433 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0471    0.1572   -0.4175 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0632   -0.0048    0.3982 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9674    1.4107   -0.5464 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7034    1.3802    1.2194 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8258   -1.3128    0.5733 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5495   -1.0890   -1.2142 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1588    0.8516   -1.2390 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9964   -0.6850    1.2285 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9740    0.5398    0.2468 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