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
    2.1168    0.1478   -0.5161 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7546    0.3385   -0.1957 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1351   -0.6724    0.0433 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2462   -1.8610   -0.0168 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5442   -0.3594    0.3717 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9485    0.8867    0.4357 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6999   -1.6335    0.6810 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.4231   -0.8573   -0.1435 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3289    0.2832   -1.5983 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6777    0.9663    0.0158 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2462    1.6675    0.2476 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9734    1.0936    0.6751 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