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
    2.3206   -0.0010    0.0101 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0580   -0.5599    0.2630 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0788    0.1446   -0.0751 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0366    1.2788   -0.6062 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3831   -0.4445    0.1916 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4778    0.2131   -0.1243 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4553   -2.0399    0.9386 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.3101    1.0230    0.4745 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1013   -0.5980    0.5047 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4716    0.0417   -1.0804 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4065    1.1730   -0.5736 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4235   -0.2308    0.0770 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