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
    2.3068   -0.3001   -0.0209 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0121   -0.5701    0.4439 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0920    0.1378   -0.0006 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1076    1.0422   -0.8455 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4201   -0.1795    0.5124 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4427    0.5107    0.0698 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6760   -1.4461    1.6918 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.3515   -0.0908   -1.1076 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7186    0.5218    0.5896 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9097   -1.2368    0.1679 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4372    0.3088    0.4220 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3383    1.3021   -0.6575 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