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
   -2.0643    0.4872   -0.2991 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6687    0.2858   -0.4256 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0649   -0.2487    0.6450 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5739   -0.5283    1.6894 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4719   -0.4302    0.4601 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0682   -0.1205   -0.6442 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4210   -1.0867    1.7525 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.5260    0.0906   -1.2363 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3227    1.5722   -0.2279 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4682   -0.0690    0.5588 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1278   -0.2466   -0.8115 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4700    0.2942   -1.4612 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