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
   -2.3235    0.3157   -0.0492 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9944    0.5453   -0.5235 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0974   -0.0993    0.0912 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1964   -0.8563    1.0473 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4574    0.1094   -0.3626 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4364   -0.5073    0.2354 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8363    1.1654   -1.6917 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.5641   -0.7596   -0.0405 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4357    0.7218    0.9900 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0071    0.9120   -0.6872 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2476   -1.1706    1.0630 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4462   -0.3766   -0.0722 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