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
   -0.4835    1.9236   -1.0745 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4304    1.1560    0.1285 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0555   -0.1295    0.1703 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4648   -0.6242   -0.9184 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1250   -0.9366    1.3667 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6017   -2.1681    1.3509 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4339   -0.2794    2.8880 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.2594    2.7134   -1.0009 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4667    2.4208   -1.3015 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7029    1.2497   -1.9533 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6475   -2.7591    2.2525 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9488   -2.5667    0.3880 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