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
    2.1364    0.3248    0.4542 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7498    0.4489    0.1463 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1172   -0.6283    0.1983 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3812   -1.7336    0.5334 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5413   -0.5014   -0.1178 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0472    0.6704   -0.4686 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5548   -1.9259   -0.0221 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.6672   -0.3009   -0.2955 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2808   -0.0344    1.4852 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5396    1.3594    0.4257 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4105    1.5382   -0.5230 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0839    0.7829   -0.7029 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