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+]
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
-1.0495 1.7687 0.8414 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-0.2493 0.3580 0.1742 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9891 -0.6770 -0.1747 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1795 0.2934 -0.0039 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8983 1.2503 0.3151 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7532 -0.8298 -0.5283 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
-0.5025 -1.5359 -0.5809 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0407 -0.6277 -0.0430 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