(2-nitrophenyl)methyl dihydrogen phosphate

C7H8NO6P — CID 54116745

IUPAC(2-nitrophenyl)methyl dihydrogen phosphate
SMILESO=[N+]([O-])c1ccccc1COP(=O)(O)O
InChIInChI=1S/C7H8NO6P/c9-8(10)7-4-2-1-3-6(7)5-14-15(11,12)13/h1-4H,5H2,(H2,11,12,13)
InChIKeyNKVXYVHPHZACPQ-UHFFFAOYSA-N
MW233.12 g/mol
LogP1.20
Rot. Bonds4

About (2-nitrophenyl)methyl dihydrogen phosphate

(2-nitrophenyl)methyl dihydrogen phosphate (PubChem CID 54116745) has the molecular formula C7H8NO6P and a molecular weight of 233.12 g/mol. Its IUPAC name is (2-nitrophenyl)methyl dihydrogen phosphate.

Molecular Properties

Compound Name(2-nitrophenyl)methyl dihydrogen phosphate
PubChem CID54116745
Molecular FormulaC7H8NO6P
Molecular Weight233.12 g/mol
Exact Mass233.01
IUPAC Name(2-nitrophenyl)methyl dihydrogen phosphate
SMILESO=[N+]([O-])c1ccccc1COP(=O)(O)O
InChIInChI=1S/C7H8NO6P/c9-8(10)7-4-2-1-3-6(7)5-14-15(11,12)13/h1-4H,5H2,(H2,11,12,13)
InChIKeyNKVXYVHPHZACPQ-UHFFFAOYSA-N
XLogP1.20
TPSA109.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.12
LogP ≤ 51.20
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

2-(2-nitrophenyl)ethyl hydrogen phosphate
CID 173144888
O-[(2-nitrophenyl)methyl]hydroxylamine
CID 2763494
(2-nitrophenyl)methyl carbamate
CID 21490181
phosphono 4-(2-nitrophenyl)butanoate
CID 175249180
(2-nitrophenyl)methoxymethanamine
CID 175012109
(2-nitrophenyl)methanol
CID 11923
(2-nitrophenyl)methyl 2,2-dihydroxyacetate
CID 70483540
2-[(2-nitrophenyl)methoxy]-2-oxoacetic acid
CID 166021267
(1Z)-N-[ethenyl-[(2-nitrophenyl)methoxy]phosphoryl]buta-1,3-dien-1-amine
CID 163586771
(2-nitrophenyl)methyl sulfite
CID 89385987
(2-nitrophenyl)methyl deuteriophosphanylformate
CID 59423019
(2-nitrophenyl)methyl 2-phenylacetate
CID 2752985

Frequently Asked Questions

What is the IUPAC name of (2-nitrophenyl)methyl dihydrogen phosphate?
The IUPAC name of (2-nitrophenyl)methyl dihydrogen phosphate (CID 54116745) is (2-nitrophenyl)methyl dihydrogen phosphate.
What is the SMILES notation for (2-nitrophenyl)methyl dihydrogen phosphate?
The canonical SMILES for (2-nitrophenyl)methyl dihydrogen phosphate is O=[N+]([O-])c1ccccc1COP(=O)(O)O.
What is the InChIKey of (2-nitrophenyl)methyl dihydrogen phosphate?
The InChIKey is NKVXYVHPHZACPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8NO6P/c9-8(10)7-4-2-1-3-6(7)5-14-15(11,12)13/h1-4H,5H2,(H2,11,12,13).
What are the key properties of (2-nitrophenyl)methyl dihydrogen phosphate?
(2-nitrophenyl)methyl dihydrogen phosphate has a molecular weight of 233.12 g/mol, XLogP of 1.20, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-nitrophenyl)methyl dihydrogen phosphate is sourced from PubChem (CID 54116745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).