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
    2.1448    0.3304    0.2646 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7705    0.5095   -0.0173 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1162   -0.5508    0.1154 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3700   -1.6442    0.4906 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5246   -0.4708   -0.1457 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0727    0.6489   -0.5385 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5363   -1.8660    0.0551 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.2662   -0.2197    1.2430 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6450   -0.3012   -0.4875 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6499    1.3074    0.4304 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4649    1.5146   -0.6665 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1316    0.7417   -0.7436 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