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
    2.2685   -0.4068    0.3892 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9136   -0.7813    0.2247 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0628    0.1586   -0.0033 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2381    1.3628   -0.0681 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4507   -0.2255   -0.1718 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3874    0.6750   -0.3903 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9026   -1.9446   -0.0826 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.9207   -1.2829    0.5475 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6014    0.0891   -0.5442 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3599    0.2981    1.2490 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0960    1.7063   -0.4408 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4027    0.3513   -0.5097 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