phosphoric acid;(2,4,5-trichlorophenyl)hydrazine

C6H8Cl3N2O4P — CID 138619519

IUPACphosphoric acid;(2,4,5-trichlorophenyl)hydrazine
SMILESNNc1cc(Cl)c(Cl)cc1Cl.O=P(O)(O)O
InChIInChI=1S/C6H5Cl3N2.H3O4P/c7-3-1-5(9)6(11-10)2-4(3)8;1-5(2,3)4/h1-2,11H,10H2;(H3,1,2,3,4)
InChIKeyVGZYFSUZXARBRR-UHFFFAOYSA-N
MW309.47 g/mol
LogP2.00
Rot. Bonds1

About phosphoric acid;(2,4,5-trichlorophenyl)hydrazine

phosphoric acid;(2,4,5-trichlorophenyl)hydrazine (PubChem CID 138619519) has the molecular formula C6H8Cl3N2O4P and a molecular weight of 309.47 g/mol. Its IUPAC name is phosphoric acid;(2,4,5-trichlorophenyl)hydrazine.

Molecular Properties

Compound Namephosphoric acid;(2,4,5-trichlorophenyl)hydrazine
PubChem CID138619519
Molecular FormulaC6H8Cl3N2O4P
Molecular Weight309.47 g/mol
Exact Mass307.93
IUPAC Namephosphoric acid;(2,4,5-trichlorophenyl)hydrazine
SMILESNNc1cc(Cl)c(Cl)cc1Cl.O=P(O)(O)O
InChIInChI=1S/C6H5Cl3N2.H3O4P/c7-3-1-5(9)6(11-10)2-4(3)8;1-5(2,3)4/h1-2,11H,10H2;(H3,1,2,3,4)
InChIKeyVGZYFSUZXARBRR-UHFFFAOYSA-N
XLogP2.00
TPSA115.81 Ų
H-Bond Donors5
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.47
LogP ≤ 52.00
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of phosphoric acid;(2,4,5-trichlorophenyl)hydrazine?
The IUPAC name of phosphoric acid;(2,4,5-trichlorophenyl)hydrazine (CID 138619519) is phosphoric acid;(2,4,5-trichlorophenyl)hydrazine.
What is the SMILES notation for phosphoric acid;(2,4,5-trichlorophenyl)hydrazine?
The canonical SMILES for phosphoric acid;(2,4,5-trichlorophenyl)hydrazine is NNc1cc(Cl)c(Cl)cc1Cl.O=P(O)(O)O.
What is the InChIKey of phosphoric acid;(2,4,5-trichlorophenyl)hydrazine?
The InChIKey is VGZYFSUZXARBRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5Cl3N2.H3O4P/c7-3-1-5(9)6(11-10)2-4(3)8;1-5(2,3)4/h1-2,11H,10H2;(H3,1,2,3,4).
What are the key properties of phosphoric acid;(2,4,5-trichlorophenyl)hydrazine?
phosphoric acid;(2,4,5-trichlorophenyl)hydrazine has a molecular weight of 309.47 g/mol, XLogP of 2.00, 1 rotatable bonds, 5 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phosphoric acid;(2,4,5-trichlorophenyl)hydrazine is sourced from PubChem (CID 138619519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).