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
    2.1404    0.4360    0.0180 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7330    0.4727    0.1702 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0557   -0.4882   -0.4629 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5521   -1.3505   -1.1483 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4947   -0.5297   -0.3650 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1455    0.3600    0.3443 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4043   -1.7608   -1.1851 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.6570    0.8554    0.9076 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3572    1.0472   -0.9026 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5199   -0.5736   -0.1839 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6361    1.1689    0.8909 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2233    0.3626    0.4422 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