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
   -2.0120    0.6953    0.1226 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6105    0.6022    0.1433 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0337   -0.6518   -0.0546 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7803   -1.6438   -0.2424 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4126   -0.7455   -0.0328 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1622    0.3243    0.1683 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1032   -2.3385   -0.2852 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.2786    1.7711    0.0550 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4610    0.1927   -0.7709 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4321    0.2536    1.0724 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2341    0.2605    0.1853 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6961    1.2799    0.3183 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