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
   -2.0845    0.3045   -0.3568 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7144    0.5247   -0.1186 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0795   -0.5904    0.1357 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4615   -1.7294    0.1399 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4948   -0.4653    0.3913 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0774    0.7065    0.3919 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248   -1.8972    0.7008 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.6398    0.7514    0.4910 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3472   -0.7722   -0.4200 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4527    0.7869   -1.2704 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1421    0.7783    0.5863 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4814    1.6022    0.1955 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