dihydroxy(oxo)phosphanium;(2-nitrophenyl)-phenylmethanone

C13H11NO6P+ — CID 174984132

IUPACdihydroxy(oxo)phosphanium;(2-nitrophenyl)-phenylmethanone
SMILESO=C(c1ccccc1)c1ccccc1[N+](=O)[O-].O=[P+](O)O
InChIInChI=1S/C13H9NO3.HO3P/c15-13(10-6-2-1-3-7-10)11-8-4-5-9-12(11)14(16)17;1-4(2)3/h1-9H;(H-,1,2,3)/p+1
InChIKeyBEFFIUWRGOMVGE-UHFFFAOYSA-O
MW308.21 g/mol
LogP2.45
Rot. Bonds3

About dihydroxy(oxo)phosphanium;(2-nitrophenyl)-phenylmethanone

dihydroxy(oxo)phosphanium;(2-nitrophenyl)-phenylmethanone (PubChem CID 174984132) has the molecular formula C13H11NO6P+ and a molecular weight of 308.21 g/mol. Its IUPAC name is dihydroxy(oxo)phosphanium;(2-nitrophenyl)-phenylmethanone.

Molecular Properties

Compound Namedihydroxy(oxo)phosphanium;(2-nitrophenyl)-phenylmethanone
PubChem CID174984132
Molecular FormulaC13H11NO6P+
Molecular Weight308.21 g/mol
Exact Mass308.03
IUPAC Namedihydroxy(oxo)phosphanium;(2-nitrophenyl)-phenylmethanone
SMILESO=C(c1ccccc1)c1ccccc1[N+](=O)[O-].O=[P+](O)O
InChIInChI=1S/C13H9NO3.HO3P/c15-13(10-6-2-1-3-7-10)11-8-4-5-9-12(11)14(16)17;1-4(2)3/h1-9H;(H-,1,2,3)/p+1
InChIKeyBEFFIUWRGOMVGE-UHFFFAOYSA-O
XLogP2.45
TPSA117.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.21
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

acetic acid;(2-nitrophenyl)-phenylmethanone
CID 172806545
methanimine;(2-nitrophenyl)-phenylmethanone
CID 174799548
azane;carbamic acid;(2-nitrophenyl)-phenylmethanone
CID 174845274
(2-nitrophenyl)-phenylmethanone;2-oxopropanoic acid
CID 174621334
2-aminoacetic acid;(2-nitrophenyl)-phenylmethanone
CID 174848251
isothiocyanic acid;(2-nitrophenyl)-phenylmethanone
CID 174455888
acetonitrile;(2-nitrophenyl)-phenylmethanone
CID 161021421
(2-nitrophenyl)-phenylmethanone;phenyl hydrogen carbonate
CID 174458714
(2-nitrophenyl)-phenylmethanone;propan-1-amine
CID 20502317
benzyl carbamate;(2-nitrophenyl)-phenylmethanone
CID 175296200
(2-nitrophenyl)-phenylmethanone;1H-pyrazole
CID 161134312
(2-nitrophenyl)-phenylmethanone;3-prop-2-ynoxyprop-1-yne
CID 174938163

Frequently Asked Questions

What is the IUPAC name of dihydroxy(oxo)phosphanium;(2-nitrophenyl)-phenylmethanone?
The IUPAC name of dihydroxy(oxo)phosphanium;(2-nitrophenyl)-phenylmethanone (CID 174984132) is dihydroxy(oxo)phosphanium;(2-nitrophenyl)-phenylmethanone.
What is the SMILES notation for dihydroxy(oxo)phosphanium;(2-nitrophenyl)-phenylmethanone?
The canonical SMILES for dihydroxy(oxo)phosphanium;(2-nitrophenyl)-phenylmethanone is O=C(c1ccccc1)c1ccccc1[N+](=O)[O-].O=[P+](O)O.
What is the InChIKey of dihydroxy(oxo)phosphanium;(2-nitrophenyl)-phenylmethanone?
The InChIKey is BEFFIUWRGOMVGE-UHFFFAOYSA-O. The full InChI is InChI=1S/C13H9NO3.HO3P/c15-13(10-6-2-1-3-7-10)11-8-4-5-9-12(11)14(16)17;1-4(2)3/h1-9H;(H-,1,2,3)/p+1.
What are the key properties of dihydroxy(oxo)phosphanium;(2-nitrophenyl)-phenylmethanone?
dihydroxy(oxo)phosphanium;(2-nitrophenyl)-phenylmethanone has a molecular weight of 308.21 g/mol, XLogP of 2.45, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dihydroxy(oxo)phosphanium;(2-nitrophenyl)-phenylmethanone is sourced from PubChem (CID 174984132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).