oxalic acid;(2,3,4,6-tetrachlorophenyl)hydrazine

C8H6Cl4N2O4 — CID 138619577

IUPACoxalic acid;(2,3,4,6-tetrachlorophenyl)hydrazine
SMILESNNc1c(Cl)cc(Cl)c(Cl)c1Cl.O=C(O)C(=O)O
InChIInChI=1S/C6H4Cl4N2.C2H2O4/c7-2-1-3(8)6(12-11)5(10)4(2)9;3-1(4)2(5)6/h1,12H,11H2;(H,3,4)(H,5,6)
InChIKeyBAXCHCYMAXPGAZ-UHFFFAOYSA-N
MW335.96 g/mol
LogP2.74
Rot. Bonds1

About oxalic acid;(2,3,4,6-tetrachlorophenyl)hydrazine

oxalic acid;(2,3,4,6-tetrachlorophenyl)hydrazine (PubChem CID 138619577) has the molecular formula C8H6Cl4N2O4 and a molecular weight of 335.96 g/mol. Its IUPAC name is oxalic acid;(2,3,4,6-tetrachlorophenyl)hydrazine.

Molecular Properties

Compound Nameoxalic acid;(2,3,4,6-tetrachlorophenyl)hydrazine
PubChem CID138619577
Molecular FormulaC8H6Cl4N2O4
Molecular Weight335.96 g/mol
Exact Mass333.91
IUPAC Nameoxalic acid;(2,3,4,6-tetrachlorophenyl)hydrazine
SMILESNNc1c(Cl)cc(Cl)c(Cl)c1Cl.O=C(O)C(=O)O
InChIInChI=1S/C6H4Cl4N2.C2H2O4/c7-2-1-3(8)6(12-11)5(10)4(2)9;3-1(4)2(5)6/h1,12H,11H2;(H,3,4)(H,5,6)
InChIKeyBAXCHCYMAXPGAZ-UHFFFAOYSA-N
XLogP2.74
TPSA112.65 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.96
LogP ≤ 52.74
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze oxalic acid;(2,3,4,6-tetrachlorophenyl)hydrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of oxalic acid;(2,3,4,6-tetrachlorophenyl)hydrazine?
The IUPAC name of oxalic acid;(2,3,4,6-tetrachlorophenyl)hydrazine (CID 138619577) is oxalic acid;(2,3,4,6-tetrachlorophenyl)hydrazine.
What is the SMILES notation for oxalic acid;(2,3,4,6-tetrachlorophenyl)hydrazine?
The canonical SMILES for oxalic acid;(2,3,4,6-tetrachlorophenyl)hydrazine is NNc1c(Cl)cc(Cl)c(Cl)c1Cl.O=C(O)C(=O)O.
What is the InChIKey of oxalic acid;(2,3,4,6-tetrachlorophenyl)hydrazine?
The InChIKey is BAXCHCYMAXPGAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4Cl4N2.C2H2O4/c7-2-1-3(8)6(12-11)5(10)4(2)9;3-1(4)2(5)6/h1,12H,11H2;(H,3,4)(H,5,6).
What are the key properties of oxalic acid;(2,3,4,6-tetrachlorophenyl)hydrazine?
oxalic acid;(2,3,4,6-tetrachlorophenyl)hydrazine has a molecular weight of 335.96 g/mol, XLogP of 2.74, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for oxalic acid;(2,3,4,6-tetrachlorophenyl)hydrazine is sourced from PubChem (CID 138619577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).