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
   -2.3415   -0.1082   -0.0446 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0736   -0.4652    0.4727 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0982    0.0694   -0.0916 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0729    0.8555   -1.0512 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4138   -0.2674    0.4047 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4673    0.2686   -0.1694 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6633   -1.3610    1.7405 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.9449   -1.0239   -0.1672 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1982    0.4680   -0.9574 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8611    0.5691    0.6919 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4869    0.0440    0.1713 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3627    0.9512   -0.9997 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