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
    2.0685    0.7646   -0.1544 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6388    0.6353   -0.1899 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0495   -0.5785    0.1061 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8161   -1.5301    0.3985 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3966   -0.7766    0.0882 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2406    0.1857   -0.2109 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0483   -2.3535    0.4784 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.5501   -0.1049   -0.6796 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3668    1.7311   -0.6002 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3650    0.8080    0.9180 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3029    0.0283   -0.2208 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8664    1.1907   -0.4616 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