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
   -2.3041   -0.1243   -0.4065 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0549    0.4934   -0.2216 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1140   -0.2021    0.0245 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0747   -1.4389    0.0885 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3644    0.5484    0.2021 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5069   -0.0703    0.4391 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4109    2.2957    0.1100 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.2689   -1.0357   -1.0183 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9799    0.6577   -0.8511 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7816   -0.4036    0.5621 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4846   -1.1483    0.4970 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4339    0.4280    0.5741 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