chempirical

4-Chlorophthalic acid monosodium salt

C8H4ClNaO4CAS 56047-23-5222.56 g/mol

Open in Covalent MOL file
O−OClOOHNa+
Aryl halideCarboxylic acid

Properties

Molecular formula
C8H4ClNaO4
Molar mass
222.56 g/mol
Exact mass
221.9696 Da
logP
1.36Crippen estimate
Polar surface area
74.6 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
2

Identifiers

CAS number
56047-23-5
SMILES
[O-]C(=O)c1ccc(Cl)cc1C(=O)O.[Na+]
InChIKey
PZKLMLXRHBPLHE-UHFFFAOYSA-N
InChI
InChI=1S/C8H5ClO4.Na/c9-4-1-2-5(7(10)11)6(3-4)8(12)13;/h1-3H,(H,10,11)(H,12,13);

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Type any one amount. The others follow from the molar mass.

Names and synonyms

5 names
  • 1,2-Benzenedicarboxylic acid, 4-chloro-, sodium salt (1:1)
  • 1,2-Benzenedicarboxylic acid, 4-chloro-, monosodium salt
  • Phthalic acid, 4-chloro-, sodium salt
  • Monosodium 4-chlorophthalate
  • 4-Chloro-o-phthalic acid sodium salt

Work with 4-Chlorophthalic acid monosodium salt

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2,5-Dichlorobenzoic acid50-79-357 % similar 2,4-Dichlorobenzoic acid50-84-055 % similar 5-Chlorosalicylic acid321-14-254 % similar 4-Chlorosalicylic acid5106-98-954 % similar 2-Amino-4-chlorobenzoic acid89-77-054 % similar 4-Chloro-2-iodobenzoic acid13421-13-153 % similar 2-Bromo-5-chlorobenzoic acid21739-93-553 % similar 5-Chloro-2-fluorobenzoic acid394-30-953 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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