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
    2.3407    0.1667   -0.0964 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0729   -0.3805    0.2792 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0649    0.0699   -0.3187 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0306    0.9660   -1.1959 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4020   -0.4521    0.0227 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4691    0.0097   -0.5771 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5780   -1.6986    1.2373 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.4815   -0.1173   -1.1649 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1372   -0.2453    0.5472 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3022    1.2777   -0.0871 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4131    0.7741   -1.3288 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4379   -0.3701   -0.3282 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