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
    2.1024    0.4947    0.2379 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6987    0.5093    0.4344 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0639   -0.5948    0.0949 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5494   -1.5834   -0.3851 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5285   -0.6253    0.2815 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0826    0.4641    0.7939 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4619   -2.0273   -0.1543 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.5283    1.1447    1.0415 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4020    0.9574   -0.7179 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5363   -0.5172    0.3865 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5185    1.3300    1.0648 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1617    0.4477    0.9339 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