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
    2.0510    0.2227    0.6518 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6537    0.2334    0.4722 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0126   -0.3878   -0.5848 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7155   -0.9942   -1.4303 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4452   -0.3076   -0.6648 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1237    0.3403    0.2487 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3189   -1.0827   -1.9941 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.2808    0.6161    1.6635 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4923    0.9323   -0.0856 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4862   -0.7816    0.4812 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6179    0.8160    1.0603 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1863    0.3931    0.1818 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