3-nitro-4-phenylmethoxybenzenediazonium

C13H10N3O3+ — CID 46187995

IUPAC3-nitro-4-phenylmethoxybenzenediazonium
SMILESN#[N+]c1ccc(OCc2ccccc2)c([N+](=O)[O-])c1
InChIInChI=1S/C13H10N3O3/c14-15-11-6-7-13(12(8-11)16(17)18)19-9-10-4-2-1-3-5-10/h1-8H,9H2/q+1
InChIKeyPHBRXZYZRBWZAS-UHFFFAOYSA-N
MW256.24 g/mol
LogP3.66
Rot. Bonds4

About 3-nitro-4-phenylmethoxybenzenediazonium

3-nitro-4-phenylmethoxybenzenediazonium (PubChem CID 46187995) has the molecular formula C13H10N3O3+ and a molecular weight of 256.24 g/mol. Its IUPAC name is 3-nitro-4-phenylmethoxybenzenediazonium.

Molecular Properties

Compound Name3-nitro-4-phenylmethoxybenzenediazonium
PubChem CID46187995
Molecular FormulaC13H10N3O3+
Molecular Weight256.24 g/mol
Exact Mass256.07
IUPAC Name3-nitro-4-phenylmethoxybenzenediazonium
SMILESN#[N+]c1ccc(OCc2ccccc2)c([N+](=O)[O-])c1
InChIInChI=1S/C13H10N3O3/c14-15-11-6-7-13(12(8-11)16(17)18)19-9-10-4-2-1-3-5-10/h1-8H,9H2/q+1
InChIKeyPHBRXZYZRBWZAS-UHFFFAOYSA-N
XLogP3.66
TPSA80.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.24
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Azo_group', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(3-nitro-4-phenylmethoxyphenyl)methanamine
CID 43319706
4-bromo-2-nitro-1-phenylmethoxybenzene
CID 11278242
bis(3-nitro-4-phenylmethoxyphenyl)methanone
CID 21234669
N-[(3-nitro-4-phenylmethoxyphenyl)methyl]-1-phenylmethanamine
CID 69126091
4-chloro-2-nitro-1-phenylmethoxybenzene;5-chloro-2-phenylmethoxyaniline
CID 157392009
2-chloro-1-(3-nitro-4-phenylmethoxyphenyl)ethanol
CID 23434718
(2R)-2-bromo-2-(3-nitro-4-phenylmethoxyphenyl)ethanol
CID 70144618
(Z)-3-(3-nitro-4-phenylmethoxyphenyl)prop-2-enoic acid
CID 82152609
[3-nitro-4-(phenylmethoxymethoxy)phenyl]methanamine
CID 102939411
4-(3-nitro-4-phenylmethoxyphenyl)pyridine;2-phenylmethoxy-5-pyridin-4-ylaniline
CID 161198066
3,4-dimethyl-1-[2-(3-nitro-4-phenylmethoxyphenyl)ethyl]pyrrolidine
CID 54404368
3-(3-nitro-4-phenylmethoxyphenyl)-1,2-oxazol-5-amine
CID 3806355

Frequently Asked Questions

What is the IUPAC name of 3-nitro-4-phenylmethoxybenzenediazonium?
The IUPAC name of 3-nitro-4-phenylmethoxybenzenediazonium (CID 46187995) is 3-nitro-4-phenylmethoxybenzenediazonium.
What is the SMILES notation for 3-nitro-4-phenylmethoxybenzenediazonium?
The canonical SMILES for 3-nitro-4-phenylmethoxybenzenediazonium is N#[N+]c1ccc(OCc2ccccc2)c([N+](=O)[O-])c1.
What is the InChIKey of 3-nitro-4-phenylmethoxybenzenediazonium?
The InChIKey is PHBRXZYZRBWZAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N3O3/c14-15-11-6-7-13(12(8-11)16(17)18)19-9-10-4-2-1-3-5-10/h1-8H,9H2/q+1.
What are the key properties of 3-nitro-4-phenylmethoxybenzenediazonium?
3-nitro-4-phenylmethoxybenzenediazonium has a molecular weight of 256.24 g/mol, XLogP of 3.66, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nitro-4-phenylmethoxybenzenediazonium is sourced from PubChem (CID 46187995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).