(3-nitrophenyl)phosphane

C6H6NO2P — CID 101369545

IUPAC(3-nitrophenyl)phosphane
SMILESO=[N+]([O-])c1cccc(P)c1
InChIInChI=1S/C6H6NO2P/c8-7(9)5-2-1-3-6(10)4-5/h1-4H,10H2
InChIKeyOHPIZJHWSPHKOH-UHFFFAOYSA-N
MW155.09 g/mol
LogP1.10
Rot. Bonds1

About (3-nitrophenyl)phosphane

(3-nitrophenyl)phosphane (PubChem CID 101369545) has the molecular formula C6H6NO2P and a molecular weight of 155.09 g/mol. Its IUPAC name is (3-nitrophenyl)phosphane.

Molecular Properties

Compound Name(3-nitrophenyl)phosphane
PubChem CID101369545
Molecular FormulaC6H6NO2P
Molecular Weight155.09 g/mol
Exact Mass155.01
IUPAC Name(3-nitrophenyl)phosphane
SMILESO=[N+]([O-])c1cccc(P)c1
InChIInChI=1S/C6H6NO2P/c8-7(9)5-2-1-3-6(10)4-5/h1-4H,10H2
InChIKeyOHPIZJHWSPHKOH-UHFFFAOYSA-N
XLogP1.10
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.09
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,1'-biphenyl;1,3-dinitrobenzene
CID 174540087
CID 174796132
CID 174796132
1-methyl-3-nitrobenzene
CID 7422
1-nitro-3-(trichloromethyl)benzene
CID 2777269
1-(3-nitrophenyl)-3-phenylbenzene
CID 12623202
1-methyl-3-nitrobenzene chloride
CID 20509973
bis(3-nitrophenyl)diazene
CID 10858607
1-bromo-3-nitrobenzene;zinc
CID 159421870
azane;1-methyl-3-nitrobenzene
CID 174504430
1-nitro-3-[2-(3-nitrophenyl)ethenyl]benzene
CID 622998
(3-nitrophenyl)phosphanium chloride
CID 159996468
(3-nitrophenyl)sulfonyloxy 3-nitrobenzenesulfonate
CID 14245606

Frequently Asked Questions

What is the IUPAC name of (3-nitrophenyl)phosphane?
The IUPAC name of (3-nitrophenyl)phosphane (CID 101369545) is (3-nitrophenyl)phosphane.
What is the SMILES notation for (3-nitrophenyl)phosphane?
The canonical SMILES for (3-nitrophenyl)phosphane is O=[N+]([O-])c1cccc(P)c1.
What is the InChIKey of (3-nitrophenyl)phosphane?
The InChIKey is OHPIZJHWSPHKOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6NO2P/c8-7(9)5-2-1-3-6(10)4-5/h1-4H,10H2.
What are the key properties of (3-nitrophenyl)phosphane?
(3-nitrophenyl)phosphane has a molecular weight of 155.09 g/mol, XLogP of 1.10, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-nitrophenyl)phosphane is sourced from PubChem (CID 101369545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).