1-nitroso-4-phosphorosooxybenzene

C6H4NO3P — CID 88894453

IUPAC1-nitroso-4-phosphorosooxybenzene
SMILESO=Nc1ccc(OP=O)cc1
InChIInChI=1S/C6H4NO3P/c8-7-5-1-3-6(4-2-5)10-11-9/h1-4H
InChIKeyUUHFRYOBBUZZJF-UHFFFAOYSA-N
MW169.08 g/mol
LogP2.67
Rot. Bonds3

About 1-nitroso-4-phosphorosooxybenzene

1-nitroso-4-phosphorosooxybenzene (PubChem CID 88894453) has the molecular formula C6H4NO3P and a molecular weight of 169.08 g/mol. Its IUPAC name is 1-nitroso-4-phosphorosooxybenzene.

Molecular Properties

Compound Name1-nitroso-4-phosphorosooxybenzene
PubChem CID88894453
Molecular FormulaC6H4NO3P
Molecular Weight169.08 g/mol
Exact Mass168.99
IUPAC Name1-nitroso-4-phosphorosooxybenzene
SMILESO=Nc1ccc(OP=O)cc1
InChIInChI=1S/C6H4NO3P/c8-7-5-1-3-6(4-2-5)10-11-9/h1-4H
InChIKeyUUHFRYOBBUZZJF-UHFFFAOYSA-N
XLogP2.67
TPSA55.73 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.08
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-nitroso-4-propan-2-yloxybenzene
CID 102138194
(4-nitrosophenyl) carbonochloridate
CID 87075345
formyl chloride;1-methoxy-4-nitrosobenzene
CID 178153567
(4-nitrosophenyl) trifluoromethanesulfonate
CID 174465384
butane;phosphorosooxybenzene
CID 69253491
1-ethynyl-4-nitrosobenzene
CID 88768319
1-iodo-4-nitrosobenzene
CID 643580
4-[(4-nitrosophenyl)methoxy]benzaldehyde
CID 88889564
sodium 4-nitrosophenolate
CID 23677962
1-nitroso-4-[(4-nitrosophenyl)methyl]benzene
CID 20588651
2-methyl-N-[[4-[(4-nitrosophenyl)methoxy]phenyl]methyl]propan-2-amine
CID 89228032
2,6-bis(4-nitrosophenyl)anthracene
CID 174243904

Frequently Asked Questions

What is the IUPAC name of 1-nitroso-4-phosphorosooxybenzene?
The IUPAC name of 1-nitroso-4-phosphorosooxybenzene (CID 88894453) is 1-nitroso-4-phosphorosooxybenzene.
What is the SMILES notation for 1-nitroso-4-phosphorosooxybenzene?
The canonical SMILES for 1-nitroso-4-phosphorosooxybenzene is O=Nc1ccc(OP=O)cc1.
What is the InChIKey of 1-nitroso-4-phosphorosooxybenzene?
The InChIKey is UUHFRYOBBUZZJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4NO3P/c8-7-5-1-3-6(4-2-5)10-11-9/h1-4H.
What are the key properties of 1-nitroso-4-phosphorosooxybenzene?
1-nitroso-4-phosphorosooxybenzene has a molecular weight of 169.08 g/mol, XLogP of 2.67, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-nitroso-4-phosphorosooxybenzene is sourced from PubChem (CID 88894453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).