(4-aminooxyphenyl)methyl nitrate

C7H8N2O4 — CID 144534541

IUPAC(4-aminooxyphenyl)methyl nitrate
SMILESNOc1ccc(CO[N+](=O)[O-])cc1
InChIInChI=1S/C7H8N2O4/c8-13-7-3-1-6(2-4-7)5-12-9(10)11/h1-4H,5,8H2
InChIKeyZMUXUQQOFIJNQZ-UHFFFAOYSA-N
MW184.15 g/mol
LogP0.65
Rot. Bonds4

About (4-aminooxyphenyl)methyl nitrate

(4-aminooxyphenyl)methyl nitrate (PubChem CID 144534541) has the molecular formula C7H8N2O4 and a molecular weight of 184.15 g/mol. Its IUPAC name is (4-aminooxyphenyl)methyl nitrate.

Molecular Properties

Compound Name(4-aminooxyphenyl)methyl nitrate
PubChem CID144534541
Molecular FormulaC7H8N2O4
Molecular Weight184.15 g/mol
Exact Mass184.05
IUPAC Name(4-aminooxyphenyl)methyl nitrate
SMILESNOc1ccc(CO[N+](=O)[O-])cc1
InChIInChI=1S/C7H8N2O4/c8-13-7-3-1-6(2-4-7)5-12-9(10)11/h1-4H,5,8H2
InChIKeyZMUXUQQOFIJNQZ-UHFFFAOYSA-N
XLogP0.65
TPSA87.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.15
LogP ≤ 50.65
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'}

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Related Compounds

[4-(nitrooxymethyl)phenyl] formate
CID 143078636
(4-acetylphenyl)methyl nitrate
CID 58158806
(4-propan-2-ylphenyl)methyl nitrate
CID 14545608
(4-aminosulfanylphenyl)methyl [4-(nitrooxymethyl)phenyl] carbonate
CID 143690865
[4-(1,3-dioxoisoindol-2-yl)phenyl]methyl nitrate
CID 42634898
benzyl nitrate;toluene
CID 175247849
[4-(1,3-dioxolan-2-yl)phenyl]methyl nitrate
CID 10977136
4-[(4-aminooxyphenyl)methyl]phenol
CID 122683282
[4-(nitrooxymethyl)phenyl] (E)-3-(4-methoxyphenyl)prop-2-enoate
CID 57486654
propan-2-yl 4-(nitrooxymethyl)benzoate
CID 89112347
propan-2-yl 2-[4-(nitrooxymethyl)phenyl]-2-oxoacetate
CID 59128263
(3,4-dimethoxyphenyl)methyl nitrate;methoxymethane
CID 174862254

Frequently Asked Questions

What is the IUPAC name of (4-aminooxyphenyl)methyl nitrate?
The IUPAC name of (4-aminooxyphenyl)methyl nitrate (CID 144534541) is (4-aminooxyphenyl)methyl nitrate.
What is the SMILES notation for (4-aminooxyphenyl)methyl nitrate?
The canonical SMILES for (4-aminooxyphenyl)methyl nitrate is NOc1ccc(CO[N+](=O)[O-])cc1.
What is the InChIKey of (4-aminooxyphenyl)methyl nitrate?
The InChIKey is ZMUXUQQOFIJNQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O4/c8-13-7-3-1-6(2-4-7)5-12-9(10)11/h1-4H,5,8H2.
What are the key properties of (4-aminooxyphenyl)methyl nitrate?
(4-aminooxyphenyl)methyl nitrate has a molecular weight of 184.15 g/mol, XLogP of 0.65, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminooxyphenyl)methyl nitrate is sourced from PubChem (CID 144534541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).