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
    1.0468    1.9636   -0.0265 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.2562    0.3762   -0.0180 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9536   -0.7040   -0.2984 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1474    0.2895    0.2977 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8033    1.3248    0.5636 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7778   -0.9433    0.3081 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
    1.9979   -0.6450   -0.5339 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4741   -1.6617   -0.2926 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