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
    2.0137    0.8694   -0.8169 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0691   -0.1395   -0.5498 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1280    0.0932    0.1110 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3574    1.2709    0.4793 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1037   -0.9859    0.3790 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2096   -0.6807    1.0087 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8169   -2.6210   -0.1162 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.1728    0.8946   -1.9112 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9650    0.5791   -0.3062 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7307    1.8488   -0.4049 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4136    0.3231    1.3270 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9222   -1.4520    1.2081 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