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
    2.2821   -0.2679    0.3240 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0102    0.1509    0.7755 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0679   -0.0148   -0.0834 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1586   -0.5302   -1.2149 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4192    0.3697    0.2520 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3900    0.1865   -0.6024 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7170    1.0775    1.8116 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.8257    0.5445   -0.2049 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8327   -0.6266    1.2143 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1420   -1.1190   -0.3476 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2504   -0.2482   -1.5788 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4069    0.4777   -0.3454 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