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
   -2.3022    0.1648   -0.3939 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9996   -0.1974   -0.8157 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0945    0.0192    0.0098 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1225    0.5428    1.1293 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4500   -0.3092   -0.3192 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4286   -0.0774    0.5053 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8090   -1.0362   -1.8559 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.7730   -0.6494    0.1681 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9680    0.3946   -1.2500 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2882    1.0875    0.2326 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1994    0.3767    1.4637 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4722   -0.3159    0.2844 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