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
   -2.3131    0.2447   -0.1893 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1267   -0.4879   -0.3186 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1196    0.1146   -0.1267 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0898    1.3428    0.1656 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3620   -0.6269   -0.2560 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4974   -0.0116   -0.0653 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3459   -2.3222   -0.6616 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.8474    0.1674   -1.1727 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1666    1.3178   -0.0097 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9042   -0.2243    0.6319 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5188    1.0341    0.1853 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4245   -0.5486   -0.1579 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