5-bromo-1,3-dichloro-2-[methoxy(phenyl)phosphoryl]oxybenzene

C13H10BrCl2O3P — CID 165351110

IUPAC5-bromo-1,3-dichloro-2-[methoxy(phenyl)phosphoryl]oxybenzene
SMILESCOP(=O)(Oc1c(Cl)cc(Br)cc1Cl)c1ccccc1
InChIInChI=1S/C13H10BrCl2O3P/c1-18-20(17,10-5-3-2-4-6-10)19-13-11(15)7-9(14)8-12(13)16/h2-8H,1H3
InChIKeyHKHINICRGWRLHY-UHFFFAOYSA-N
MW396.00 g/mol
LogP5.30
Rot. Bonds4

About 5-bromo-1,3-dichloro-2-[methoxy(phenyl)phosphoryl]oxybenzene

5-bromo-1,3-dichloro-2-[methoxy(phenyl)phosphoryl]oxybenzene (PubChem CID 165351110) has the molecular formula C13H10BrCl2O3P and a molecular weight of 396.00 g/mol. Its IUPAC name is 5-bromo-1,3-dichloro-2-[methoxy(phenyl)phosphoryl]oxybenzene.

Molecular Properties

Compound Name5-bromo-1,3-dichloro-2-[methoxy(phenyl)phosphoryl]oxybenzene
PubChem CID165351110
Molecular FormulaC13H10BrCl2O3P
Molecular Weight396.00 g/mol
Exact Mass393.89
IUPAC Name5-bromo-1,3-dichloro-2-[methoxy(phenyl)phosphoryl]oxybenzene
SMILESCOP(=O)(Oc1c(Cl)cc(Br)cc1Cl)c1ccccc1
InChIInChI=1S/C13H10BrCl2O3P/c1-18-20(17,10-5-3-2-4-6-10)19-13-11(15)7-9(14)8-12(13)16/h2-8H,1H3
InChIKeyHKHINICRGWRLHY-UHFFFAOYSA-N
XLogP5.30
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.00
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-1,3-dichloro-2-[methoxy(phenyl)phosphoryl]oxybenzene?
The IUPAC name of 5-bromo-1,3-dichloro-2-[methoxy(phenyl)phosphoryl]oxybenzene (CID 165351110) is 5-bromo-1,3-dichloro-2-[methoxy(phenyl)phosphoryl]oxybenzene.
What is the SMILES notation for 5-bromo-1,3-dichloro-2-[methoxy(phenyl)phosphoryl]oxybenzene?
The canonical SMILES for 5-bromo-1,3-dichloro-2-[methoxy(phenyl)phosphoryl]oxybenzene is COP(=O)(Oc1c(Cl)cc(Br)cc1Cl)c1ccccc1.
What is the InChIKey of 5-bromo-1,3-dichloro-2-[methoxy(phenyl)phosphoryl]oxybenzene?
The InChIKey is HKHINICRGWRLHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrCl2O3P/c1-18-20(17,10-5-3-2-4-6-10)19-13-11(15)7-9(14)8-12(13)16/h2-8H,1H3.
What are the key properties of 5-bromo-1,3-dichloro-2-[methoxy(phenyl)phosphoryl]oxybenzene?
5-bromo-1,3-dichloro-2-[methoxy(phenyl)phosphoryl]oxybenzene has a molecular weight of 396.00 g/mol, XLogP of 5.30, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1,3-dichloro-2-[methoxy(phenyl)phosphoryl]oxybenzene is sourced from PubChem (CID 165351110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).