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
    2.0915   -0.4954   -0.0840 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6790   -0.5155   -0.1183 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0371    0.6327    0.1799 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6149    1.6558    0.4719 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4880    0.5918    0.1391 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1200   -0.5157   -0.1755 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4311    2.0168    0.5081 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.5148   -1.0440    0.7742 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4785    0.5630   -0.0261 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4452   -0.9061   -1.0485 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5529   -1.4015   -0.4053 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1947   -0.5820   -0.2155 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