(3-nitrophenyl)phosphanium chloride

C6H7ClNO2P — CID 159996468

IUPAC(3-nitrophenyl)phosphanium chloride
SMILESO=[N+]([O-])c1cccc([PH3+])c1.[Cl-]
InChIInChI=1S/C6H6NO2P.ClH/c8-7(9)5-2-1-3-6(10)4-5;/h1-4H,10H2;1H
InChIKeyXRXYDHNSJKRJAZ-UHFFFAOYSA-N
MW191.55 g/mol
LogP-2.17
Rot. Bonds1

About (3-nitrophenyl)phosphanium chloride

(3-nitrophenyl)phosphanium chloride (PubChem CID 159996468) has the molecular formula C6H7ClNO2P and a molecular weight of 191.55 g/mol. Its IUPAC name is (3-nitrophenyl)phosphanium chloride.

Molecular Properties

Compound Name(3-nitrophenyl)phosphanium chloride
PubChem CID159996468
Molecular FormulaC6H7ClNO2P
Molecular Weight191.55 g/mol
Exact Mass190.99
IUPAC Name(3-nitrophenyl)phosphanium chloride
SMILESO=[N+]([O-])c1cccc([PH3+])c1.[Cl-]
InChIInChI=1S/C6H6NO2P.ClH/c8-7(9)5-2-1-3-6(10)4-5;/h1-4H,10H2;1H
InChIKeyXRXYDHNSJKRJAZ-UHFFFAOYSA-N
XLogP-2.17
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.55
LogP ≤ 5-2.17
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-methyl-3-nitrobenzene chloride
CID 20509973
1,1'-biphenyl;1,3-dinitrobenzene
CID 174540087
(3-nitrophenyl)phosphane
CID 101369545
CID 174796132
CID 174796132
1-methyl-3-nitrobenzene
CID 7422
1,3-dinitrobenzene;2-phenylethylbenzene
CID 174564688
1-(3-nitrophenyl)-3-phenylbenzene
CID 12623202
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
iron(3+);nitrobenzene;trichloride
CID 70503336

Frequently Asked Questions

What is the IUPAC name of (3-nitrophenyl)phosphanium chloride?
The IUPAC name of (3-nitrophenyl)phosphanium chloride (CID 159996468) is (3-nitrophenyl)phosphanium chloride.
What is the SMILES notation for (3-nitrophenyl)phosphanium chloride?
The canonical SMILES for (3-nitrophenyl)phosphanium chloride is O=[N+]([O-])c1cccc([PH3+])c1.[Cl-].
What is the InChIKey of (3-nitrophenyl)phosphanium chloride?
The InChIKey is XRXYDHNSJKRJAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6NO2P.ClH/c8-7(9)5-2-1-3-6(10)4-5;/h1-4H,10H2;1H.
What are the key properties of (3-nitrophenyl)phosphanium chloride?
(3-nitrophenyl)phosphanium chloride has a molecular weight of 191.55 g/mol, XLogP of -2.17, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-nitrophenyl)phosphanium chloride is sourced from PubChem (CID 159996468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).