sodium;hydride;2,3,4-trichlorobenzoic acid

C7H4Cl3NaO2 — CID 174433618

IUPACsodium;hydride;2,3,4-trichlorobenzoic acid
SMILESO=C(O)c1ccc(Cl)c(Cl)c1Cl.[H-].[Na+]
InChIInChI=1S/C7H3Cl3O2.Na.H/c8-4-2-1-3(7(11)12)5(9)6(4)10;;/h1-2H,(H,11,12);;/q;+1;-1
InChIKeyPJQMMHVEUZYSEX-UHFFFAOYSA-N
MW249.46 g/mol
LogP0.46
Rot. Bonds1

About sodium;hydride;2,3,4-trichlorobenzoic acid

sodium;hydride;2,3,4-trichlorobenzoic acid (PubChem CID 174433618) has the molecular formula C7H4Cl3NaO2 and a molecular weight of 249.46 g/mol. Its IUPAC name is sodium;hydride;2,3,4-trichlorobenzoic acid.

Molecular Properties

Compound Namesodium;hydride;2,3,4-trichlorobenzoic acid
PubChem CID174433618
Molecular FormulaC7H4Cl3NaO2
Molecular Weight249.46 g/mol
Exact Mass247.92
IUPAC Namesodium;hydride;2,3,4-trichlorobenzoic acid
SMILESO=C(O)c1ccc(Cl)c(Cl)c1Cl.[H-].[Na+]
InChIInChI=1S/C7H3Cl3O2.Na.H/c8-4-2-1-3(7(11)12)5(9)6(4)10;;/h1-2H,(H,11,12);;/q;+1;-1
InChIKeyPJQMMHVEUZYSEX-UHFFFAOYSA-N
XLogP0.46
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.46
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2,3,4-trichlorobenzenecarboperoxoic acid
CID 140980172
3,4-dichloro-2-nitrobenzoic acid
CID 20516693
3,4-dichloro-2-ethenylbenzoic acid
CID 54092126
2,4-dichloro-3-methylsulfanylbenzoic acid
CID 151077438
2,4-dichloro-3-(trifluoromethyl)benzoic acid
CID 11680461
2,4-dichloro-3-propylbenzoic acid
CID 67726803
2,3-dichloro-4-methylsulfanylbenzoic acid
CID 14745482
sodium;3-chloro-4-hydroxyphthalic acid;hydride
CID 173314092
2,3-dichloro-4-cyanobenzoic acid
CID 123228484
2,3-diamino-4-chlorobenzoic acid
CID 10655174
2-chloro-5-(2,3,4-trichlorophenyl)pyridine-4-carboxylic acid
CID 119011318
sodium;2,3-dihydroxyterephthalic acid;hydride
CID 175464540

Frequently Asked Questions

What is the IUPAC name of sodium;hydride;2,3,4-trichlorobenzoic acid?
The IUPAC name of sodium;hydride;2,3,4-trichlorobenzoic acid (CID 174433618) is sodium;hydride;2,3,4-trichlorobenzoic acid.
What is the SMILES notation for sodium;hydride;2,3,4-trichlorobenzoic acid?
The canonical SMILES for sodium;hydride;2,3,4-trichlorobenzoic acid is O=C(O)c1ccc(Cl)c(Cl)c1Cl.[H-].[Na+].
What is the InChIKey of sodium;hydride;2,3,4-trichlorobenzoic acid?
The InChIKey is PJQMMHVEUZYSEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3Cl3O2.Na.H/c8-4-2-1-3(7(11)12)5(9)6(4)10;;/h1-2H,(H,11,12);;/q;+1;-1.
What are the key properties of sodium;hydride;2,3,4-trichlorobenzoic acid?
sodium;hydride;2,3,4-trichlorobenzoic acid has a molecular weight of 249.46 g/mol, XLogP of 0.46, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydride;2,3,4-trichlorobenzoic acid is sourced from PubChem (CID 174433618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).