Monomers

2-Chloroacrylic acid sodium salt

Identifiers

IUPAC name
sodium;2-chloroprop-2-enoate
InchI
InChI=1S/C3H3ClO2.Na/c1-2(4)3(5)6;/h1H2,(H,5,6);/q;+1/p-1
InchI Key
BNGQLYQWSYXQLK-UHFFFAOYSA-M
SMILES
ClC(=C)C(=O)[O-].[Na+]
Canonical SMILES
C=C(C(=O)[O-])Cl.[Na+]
Isomeric SMILES
C=C(C(=O)[O-])Cl.[Na+]
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C3H2ClNaO2
Heavy Atom Count
7
Molecular Weight
128.49
Exact Molecular Weight
127.9641
Valence Electrons
34
Radical Electrons
0
tPSA
40.13
MolLogP
-3.5072
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

  9  7  0  0  0  0  0  0  0  0999 V2000
    0.1175    2.1262    0.3121 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0938    0.3951    0.0721 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2137   -0.2599    0.2035 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1816   -0.2249   -0.2631 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2305   -1.4565   -0.4401 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3531    0.4994   -0.3951 O   0  0  0  0  0  1  0  0  0  0  0  0
    0.0000    0.0000    0.0000 Na  0  0  0  0  0 15  0  0  0  0  0  0
    2.1206    0.2411    0.4500 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2196   -1.3205    0.0605 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  3
  2  4  1  0
  4  5  2  0
  4  6  1  0
  3  8  1  0
  3  9  1  0
M  CHG  2   6  -1   7   1
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers