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
    1.8794   -0.4742   -1.0323 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5529   -0.0679   -0.7376 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0968   -0.1396    0.5563 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8638   -0.5613    1.4399 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2686    0.2725    0.8945 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1157    0.7226    0.0071 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7982    0.1577    2.5751 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.9999   -0.8225   -2.0630 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5357    0.4072   -0.8468 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1735   -1.3077   -0.3573 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0970    1.0104    0.2974 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8225    0.8028   -1.0171 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