sodium;3-chloro-4-hydroxyphthalic acid;hydride

C8H6ClNaO5 — CID 173314092

IUPACsodium;3-chloro-4-hydroxyphthalic acid;hydride
SMILESO=C(O)c1ccc(O)c(Cl)c1C(=O)O.[H-].[Na+]
InChIInChI=1S/C8H5ClO5.Na.H/c9-6-4(10)2-1-3(7(11)12)5(6)8(13)14;;/h1-2,10H,(H,11,12)(H,13,14);;/q;+1;-1
InChIKeyMMQFPRUMBCBLDX-UHFFFAOYSA-N
MW240.57 g/mol
LogP-1.44
Rot. Bonds2

About sodium;3-chloro-4-hydroxyphthalic acid;hydride

sodium;3-chloro-4-hydroxyphthalic acid;hydride (PubChem CID 173314092) has the molecular formula C8H6ClNaO5 and a molecular weight of 240.57 g/mol. Its IUPAC name is sodium;3-chloro-4-hydroxyphthalic acid;hydride.

Molecular Properties

Compound Namesodium;3-chloro-4-hydroxyphthalic acid;hydride
PubChem CID173314092
Molecular FormulaC8H6ClNaO5
Molecular Weight240.57 g/mol
Exact Mass239.98
IUPAC Namesodium;3-chloro-4-hydroxyphthalic acid;hydride
SMILESO=C(O)c1ccc(O)c(Cl)c1C(=O)O.[H-].[Na+]
InChIInChI=1S/C8H5ClO5.Na.H/c9-6-4(10)2-1-3(7(11)12)5(6)8(13)14;;/h1-2,10H,(H,11,12)(H,13,14);;/q;+1;-1
InChIKeyMMQFPRUMBCBLDX-UHFFFAOYSA-N
XLogP-1.44
TPSA94.83 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.57
LogP ≤ 5-1.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of sodium;3-chloro-4-hydroxyphthalic acid;hydride?
The IUPAC name of sodium;3-chloro-4-hydroxyphthalic acid;hydride (CID 173314092) is sodium;3-chloro-4-hydroxyphthalic acid;hydride.
What is the SMILES notation for sodium;3-chloro-4-hydroxyphthalic acid;hydride?
The canonical SMILES for sodium;3-chloro-4-hydroxyphthalic acid;hydride is O=C(O)c1ccc(O)c(Cl)c1C(=O)O.[H-].[Na+].
What is the InChIKey of sodium;3-chloro-4-hydroxyphthalic acid;hydride?
The InChIKey is MMQFPRUMBCBLDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClO5.Na.H/c9-6-4(10)2-1-3(7(11)12)5(6)8(13)14;;/h1-2,10H,(H,11,12)(H,13,14);;/q;+1;-1.
What are the key properties of sodium;3-chloro-4-hydroxyphthalic acid;hydride?
sodium;3-chloro-4-hydroxyphthalic acid;hydride has a molecular weight of 240.57 g/mol, XLogP of -1.44, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;3-chloro-4-hydroxyphthalic acid;hydride is sourced from PubChem (CID 173314092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).