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
   -2.1194   -0.5277   -0.0354 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8724    0.1262   -0.0313 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3209   -0.5151    0.2768 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2272   -1.7244    0.5552 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6082    0.1500    0.2834 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7029    1.4296   -0.0117 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0276   -0.7762    0.6891 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.9760   -1.6242   -0.2382 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6951   -0.0840   -0.8960 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6997   -0.3842    0.8843 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6543    1.9266   -0.0081 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8214    2.0035   -0.2633 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