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
    2.1145    0.5085    0.0580 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7196    0.4752    0.0113 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0501   -0.6300    0.3462 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5690   -1.6567    0.7127 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5172   -0.5974    0.2746 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1625    0.4699   -0.1063 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4284   -2.0227    0.7100 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.5087    0.6217   -0.9800 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5063    1.3953    0.6195 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5844   -0.3863    0.4881 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2278    0.4714   -0.1510 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6167    1.3510   -0.3762 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