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
    2.2910   -0.0777    0.2867 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0922   -0.3002   -0.3976 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1071    0.0423    0.1994 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0471    0.5545    1.3703 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3789   -0.1608   -0.4520 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4786    0.1754    0.1459 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4131   -0.8580   -2.0384 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.1694    0.0108    1.3893 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9819   -0.9094    0.0230 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7806    0.8836   -0.0344 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4534    0.6066    1.1277 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4369    0.0330   -0.3209 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