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
    3.6347    1.2914    0.6183 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.8213   -0.2850    0.8400 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6019   -0.3906    0.0319 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6987   -0.8144   -1.1718 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3553   -0.0501    0.5289 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7514   -0.2304   -0.3883 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0090    0.1444    0.0981 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0995    0.4777    0.5103 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6249   -1.0289    0.4768 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6853   -0.5613    1.8944 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7629   -1.3808   -0.5768 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4349    0.2184   -1.3780 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9545    1.3190   -0.6996 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8121    1.2632    0.1188 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5978    0.0273    1.4092 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