O-(4-nitrobenzyl)hydroxylamine

HCID 74968

Notes Reactions

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Basic information

Standard SMILES: NOCc1ccc([N+](=O)[O-])cc1
InChIKey: OJYSJFUYARGLPG-UHFFFAOYSA-N
Molecular formula: C7H8N2O3
Average molar mass: 168.15 g/mol

Names & identifiers

Preferred name: O-(4-nitrobenzyl)hydroxylamine
IUPAC: O-[(4-nitrophenyl)methyl]hydroxylamine

Names & synonyms

O-(4-nitrobenzyl)hydroxylamine1944-96-3Hydroxylamine, O-[(4-nitrophenyl)methyl]-MFCD06654546CHEMBL3765123O-[(4-nitrophenyl)methyl]hydroxylamineBDBM50146446NCIOpen2_004526o-(p-Nitrobenzyl)hydroxylaminep-nitrobenzyloxyamineSCHEMBL439093SCHEMBL7769668

Show more names

SCHEMBL7829129[(4-nitrophenyl)methyl]oxyamineCHEMBL1213008AKOS0062281011-[(Aminooxy)methyl]-4-nitrobenzene #AS-92840SY281895ST50406460

Database identifiers

PubChem CID: 74968
ChEMBL: CHEMBL1213008、CHEMBL3765123
Nikkaji: J231.920I

Properties

Computed structural properties

XLogP: 1.1
Topological polar surface area: 81.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 2
Heavy atoms: 12
Formal charge: 0
Complexity: 149

Related reactions

15 records

New reaction record

HRID 146097As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 146100As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 182119As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 686361As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

HRID 702373As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

HRID 825074As reactantTest data from https://doi.org/10.1039/C8SC04228D

HRID 959634As reactantValidation data from https://doi.org/10.1039/C8SC04228D

HRID 1124977As reactantTraining data from https://doi.org/10.1039/C8SC04228D (7/10)

Compound notes

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