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
    2.1011    0.3472    0.4065 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7238    0.5557    0.1620 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0682   -0.5650   -0.0542 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4924   -1.7151   -0.0195 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4835   -0.5021   -0.3146 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0787    0.6689   -0.3545 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4382   -1.9316   -0.5800 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.6893    0.2601   -0.5292 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2001   -0.6137    0.9591 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5037    1.1731    1.0639 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4881    1.5612   -0.1898 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1536    0.7614   -0.5496 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