Monomers

Methyl 2-chloroacrylate

Identifiers

IUPAC name
methyl 2-chloroprop-2-enoate
InchI
InChI=1S/C4H5ClO2/c1-3(5)4(6)7-2/h1H2,2H3
InchI Key
AWJZTPWDQYFQPQ-UHFFFAOYSA-N
SMILES
COC(=O)C(=C)Cl
Canonical SMILES
COC(=O)C(=C)Cl
Isomeric SMILES
COC(=O)C(=C)Cl
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C4H5ClO2
Heavy Atom Count
7
Molecular Weight
120.535
Exact Molecular Weight
119.9978
Valence Electrons
40
Radical Electrons
0
tPSA
26.3
MolLogP
0.9119
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

 12 11  0  0  0  0  0  0  0  0999 V2000
   -2.1301    0.1727    0.3664 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7383    0.4189    0.3982 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0805   -0.4875   -0.2738 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4567   -1.4587   -0.8618 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5206   -0.3527   -0.3198 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0795    0.6659    0.2973 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4786   -1.5212   -1.1771 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.5421    0.7494   -0.4854 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3123   -0.9114    0.2441 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6439    0.5067    1.2879 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5038    1.4021    0.8348 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1603    0.8159    0.2948 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  2  3
  5  7  1  0
  1  8  1  0
  1  9  1  0
  1 10  1  0
  6 11  1  0
  6 12  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers