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
    2.2884   -0.2894    0.0336 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9874   -0.7354   -0.2261 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0903    0.1077    0.0341 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2017    1.2604    0.5050 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4638   -0.2828   -0.2085 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4402    0.5346    0.0482 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7906   -1.8696   -0.8518 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.3079    0.7542    0.4153 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8086   -0.8948    0.8272 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8903   -0.3449   -0.8908 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2433    1.5088    0.4429 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4561    0.2513   -0.1291 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