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
    0.2618    2.1273    0.6233 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0980    0.4446    0.1296 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1583   -0.2999   -0.1065 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2059   -0.1435   -0.0235 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2280    0.5308    0.1914 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3471   -1.4513   -0.4071 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
    1.1108   -1.3333   -0.4105 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1522    0.1255    0.0034 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