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
1.4106 1.6531 0.3669 Cl 0 0 0 0 0 0 0 0 0 0 0 0
0.3238 0.3148 0.0846 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7976 -0.9051 0.2183 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0659 0.5366 -0.2877 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4995 1.7027 -0.4104 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9522 -0.4933 -0.5183 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
0.1628 -1.7432 0.0537 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8227 -1.0656 0.4929 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