2,4,6-trichloro-3-[(Z)-hydroxyiminomethyl]phenol

C7H4Cl3NO2 — CID 6536170

IUPAC2,4,6-trichloro-3-[(Z)-hydroxyiminomethyl]phenol
SMILESO/N=C\c1c(Cl)cc(Cl)c(O)c1Cl
InChIInChI=1S/C7H4Cl3NO2/c8-4-1-5(9)7(12)6(10)3(4)2-11-13/h1-2,12-13H/b11-2-
InChIKeyTXBZBPJIMRFZRK-FUQNDXKWSA-N
MW240.47 g/mol
LogP3.16
Rot. Bonds1

About 2,4,6-trichloro-3-[(Z)-hydroxyiminomethyl]phenol

2,4,6-trichloro-3-[(Z)-hydroxyiminomethyl]phenol (PubChem CID 6536170) has the molecular formula C7H4Cl3NO2 and a molecular weight of 240.47 g/mol. Its IUPAC name is 2,4,6-trichloro-3-[(Z)-hydroxyiminomethyl]phenol.

Molecular Properties

Compound Name2,4,6-trichloro-3-[(Z)-hydroxyiminomethyl]phenol
PubChem CID6536170
Molecular FormulaC7H4Cl3NO2
Molecular Weight240.47 g/mol
Exact Mass238.93
IUPAC Name2,4,6-trichloro-3-[(Z)-hydroxyiminomethyl]phenol
SMILESO/N=C\c1c(Cl)cc(Cl)c(O)c1Cl
InChIInChI=1S/C7H4Cl3NO2/c8-4-1-5(9)7(12)6(10)3(4)2-11-13/h1-2,12-13H/b11-2-
InChIKeyTXBZBPJIMRFZRK-FUQNDXKWSA-N
XLogP3.16
TPSA52.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.47
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,4,6-trichloro-3-[(Z)-hydroxyiminomethyl]phenol?
The IUPAC name of 2,4,6-trichloro-3-[(Z)-hydroxyiminomethyl]phenol (CID 6536170) is 2,4,6-trichloro-3-[(Z)-hydroxyiminomethyl]phenol.
What is the SMILES notation for 2,4,6-trichloro-3-[(Z)-hydroxyiminomethyl]phenol?
The canonical SMILES for 2,4,6-trichloro-3-[(Z)-hydroxyiminomethyl]phenol is O/N=C\c1c(Cl)cc(Cl)c(O)c1Cl.
What is the InChIKey of 2,4,6-trichloro-3-[(Z)-hydroxyiminomethyl]phenol?
The InChIKey is TXBZBPJIMRFZRK-FUQNDXKWSA-N. The full InChI is InChI=1S/C7H4Cl3NO2/c8-4-1-5(9)7(12)6(10)3(4)2-11-13/h1-2,12-13H/b11-2-.
What are the key properties of 2,4,6-trichloro-3-[(Z)-hydroxyiminomethyl]phenol?
2,4,6-trichloro-3-[(Z)-hydroxyiminomethyl]phenol has a molecular weight of 240.47 g/mol, XLogP of 3.16, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trichloro-3-[(Z)-hydroxyiminomethyl]phenol is sourced from PubChem (CID 6536170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).