methyl (2-nitrophenyl) hydrogen phosphate

C7H8NO6P — CID 131852175

IUPACmethyl (2-nitrophenyl) hydrogen phosphate
SMILESCOP(=O)(O)Oc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C7H8NO6P/c1-13-15(11,12)14-7-5-3-2-4-6(7)8(9)10/h2-5H,1H3,(H,11,12)
InChIKeyQPYNHEJPOVAIQK-UHFFFAOYSA-N
MW233.12 g/mol
LogP1.72
Rot. Bonds4

About methyl (2-nitrophenyl) hydrogen phosphate

methyl (2-nitrophenyl) hydrogen phosphate (PubChem CID 131852175) has the molecular formula C7H8NO6P and a molecular weight of 233.12 g/mol. Its IUPAC name is methyl (2-nitrophenyl) hydrogen phosphate.

Molecular Properties

Compound Namemethyl (2-nitrophenyl) hydrogen phosphate
PubChem CID131852175
Molecular FormulaC7H8NO6P
Molecular Weight233.12 g/mol
Exact Mass233.01
IUPAC Namemethyl (2-nitrophenyl) hydrogen phosphate
SMILESCOP(=O)(O)Oc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C7H8NO6P/c1-13-15(11,12)14-7-5-3-2-4-6(7)8(9)10/h2-5H,1H3,(H,11,12)
InChIKeyQPYNHEJPOVAIQK-UHFFFAOYSA-N
XLogP1.72
TPSA98.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.12
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

[methyl-(2-nitrophenoxy)phosphoryl] dihydrogen phosphate
CID 101078383
difluoro-(2-nitrophenoxy)-sulfanylidene-λ5-phosphane
CID 165355149
(2-methoxy-3-nitrophenyl) dihydrogen phosphate
CID 172766793
1-[ethoxy(methyl)phosphoryl]oxy-2-nitrobenzene
CID 87411362
methyl (5-nitroquinolin-8-yl) hydrogen phosphate
CID 146455565
ethyl (2-hydroxyphenyl) (2-nitrophenyl) phosphate
CID 66973952
1-nitro-2-(2-nitrophenyl)peroxybenzene
CID 151853711
methyl 2-[[2-(2-nitrophenoxy)acetyl]amino]propanoate
CID 60637868
[4-(2-nitrophenoxy)phenyl]phosphonic acid
CID 18506154
1-[methoxy(methyl)phosphoryl]-2-nitrobenzene
CID 126564149
CID 174580034
CID 174580034
N-ethyl-2-(2-nitrophenoxy)acetamide
CID 2500383

Frequently Asked Questions

What is the IUPAC name of methyl (2-nitrophenyl) hydrogen phosphate?
The IUPAC name of methyl (2-nitrophenyl) hydrogen phosphate (CID 131852175) is methyl (2-nitrophenyl) hydrogen phosphate.
What is the SMILES notation for methyl (2-nitrophenyl) hydrogen phosphate?
The canonical SMILES for methyl (2-nitrophenyl) hydrogen phosphate is COP(=O)(O)Oc1ccccc1[N+](=O)[O-].
What is the InChIKey of methyl (2-nitrophenyl) hydrogen phosphate?
The InChIKey is QPYNHEJPOVAIQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8NO6P/c1-13-15(11,12)14-7-5-3-2-4-6(7)8(9)10/h2-5H,1H3,(H,11,12).
What are the key properties of methyl (2-nitrophenyl) hydrogen phosphate?
methyl (2-nitrophenyl) hydrogen phosphate has a molecular weight of 233.12 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2-nitrophenyl) hydrogen phosphate is sourced from PubChem (CID 131852175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).