Sodium triclofos; Trichlofos sodium; Trichloryl; Tricloryl; Triclos

C2H4Cl3NaO4P — CID 71651207

IUPAC—
SMILESO=P(O)(O)OCC(Cl)(Cl)Cl.[Na]
InChIInChI=1S/C2H4Cl3O4P.Na/c3-2(4,5)1-9-10(6,7)8;/h1H2,(H2,6,7,8);
InChIKeyOFCLFJCRLNHIQE-UHFFFAOYSA-N
MW252.37 g/mol
LogP1.09
Rot. Bonds2

About Sodium triclofos; Trichlofos sodium; Trichloryl; Tricloryl; Triclos

Sodium triclofos; Trichlofos sodium; Trichloryl; Tricloryl; Triclos (PubChem CID 71651207) has the molecular formula C2H4Cl3NaO4P and a molecular weight of 252.37 g/mol.

Molecular Properties

Compound NameSodium triclofos; Trichlofos sodium; Trichloryl; Tricloryl; Triclos
PubChem CID71651207
Molecular FormulaC2H4Cl3NaO4P
Molecular Weight252.37 g/mol
Exact Mass250.88
IUPAC Name—
SMILESO=P(O)(O)OCC(Cl)(Cl)Cl.[Na]
InChIInChI=1S/C2H4Cl3O4P.Na/c3-2(4,5)1-9-10(6,7)8;/h1H2,(H2,6,7,8);
InChIKeyOFCLFJCRLNHIQE-UHFFFAOYSA-N
XLogP1.09
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.37
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,2,2-trichloroethyl dihydrogen phosphate
CID 5563
CID 171989817
CID 171989817
pyridine;2,2,2-trichloroethyl dihydrogen phosphate
CID 21435934
[5-bromo-2-(3-bromopropyl)-2-chloropentyl] dihydrogen phosphate
CID 57168636
1,1,2-tributoxyethyl dihydrogen phosphate;2,2,2-trichloroethyl dihydrogen phosphate
CID 87447654
2,2,2-trimethoxyethyl dihydrogen phosphate
CID 54493735
2-phosphonooxyethane-1,1,1-tricarboxylic acid
CID 87407138
2,2-difluorobutyl dihydrogen phosphate
CID 151010291
2,2-bis(hydroxymethyl)butyl dihydrogen phosphate
CID 18755950
CID 87495286
CID 87495286
(2-hydroxy-2-methyl-3-oxopropyl) dihydrogen phosphate
CID 90769020
2,2-diethylbut-3-enyl dihydrogen phosphate
CID 141443174

Frequently Asked Questions

What is the IUPAC name of Sodium triclofos; Trichlofos sodium; Trichloryl; Tricloryl; Triclos?
The IUPAC name of Sodium triclofos; Trichlofos sodium; Trichloryl; Tricloryl; Triclos (CID 71651207) is not available.
What is the SMILES notation for Sodium triclofos; Trichlofos sodium; Trichloryl; Tricloryl; Triclos?
The canonical SMILES for Sodium triclofos; Trichlofos sodium; Trichloryl; Tricloryl; Triclos is O=P(O)(O)OCC(Cl)(Cl)Cl.[Na].
What is the InChIKey of Sodium triclofos; Trichlofos sodium; Trichloryl; Tricloryl; Triclos?
The InChIKey is OFCLFJCRLNHIQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4Cl3O4P.Na/c3-2(4,5)1-9-10(6,7)8;/h1H2,(H2,6,7,8);.
What are the key properties of Sodium triclofos; Trichlofos sodium; Trichloryl; Tricloryl; Triclos?
Sodium triclofos; Trichlofos sodium; Trichloryl; Tricloryl; Triclos has a molecular weight of 252.37 g/mol, XLogP of 1.09, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for Sodium triclofos; Trichlofos sodium; Trichloryl; Tricloryl; Triclos is sourced from PubChem (CID 71651207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).