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
   -2.3131    0.2409   -0.0195 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0054    0.7206    0.1728 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0986   -0.1334   -0.0090 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1682   -1.3088   -0.3430 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4632    0.3381    0.1838 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4500   -0.5030   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8087    1.9836    0.6499 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.6250   -0.4964    0.7533 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4514   -0.2733   -0.9959 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9825    1.1267   -0.0451 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2717   -1.5173   -0.2858 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4533   -0.1777    0.1359 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