Monomers

Ethyl 2-chloroacrylate

Identifiers

IUPAC name
ethyl 2-chloroprop-2-enoate
InchI
InChI=1S/C5H7ClO2/c1-3-8-5(7)4(2)6/h2-3H2,1H3
InchI Key
CVUNPKSKGHPMSY-UHFFFAOYSA-N
SMILES
CCOC(=O)C(=C)Cl
Canonical SMILES
CCOC(=O)C(=C)Cl
Isomeric SMILES
CCOC(=O)C(=C)Cl
Resources

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C5H7ClO2
Heavy Atom Count
8
Molecular Weight
134.562
Exact Molecular Weight
134.0135
Valence Electrons
46
Radical Electrons
0
tPSA
26.3
MolLogP
1.302
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

 15 14  0  0  0  0  0  0  0  0999 V2000
    2.7156    0.6079   -0.1005 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5600   -0.3517   -0.2813 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3447    0.2971    0.0829 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8739   -0.3488    0.0146 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8843   -1.5356   -0.3810 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1367    0.2926    0.3821 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2860   -0.3283    0.3137 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1313    1.9742    0.9438 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.0061    1.0562   -1.0867 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6006    0.0594    0.3110 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3881    1.3803    0.6193 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7193   -1.1754    0.4724 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4898   -0.7494   -1.3123 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1885    0.1643    0.5878 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3237   -1.3428   -0.0210 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  2  3
  6  8  1  0
  1  9  1  0
  1 10  1  0
  1 11  1  0
  2 12  1  0
  2 13  1  0
  7 14  1  0
  7 15  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers