benzyl N-(2-hydroxy-4-nitrophenyl)carbamate

HCID 14745732

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: O=C(Nc1ccc([N+](=O)[O-])cc1O)OCc1ccccc1
InChIKey: CSYKDOCURHICFR-UHFFFAOYSA-N
Molecular formula: C14H12N2O5
Average molar mass: 288.25 g/mol

Names & identifiers

Preferred name: benzyl N-(2-hydroxy-4-nitrophenyl)carbamate
IUPAC: benzyl N-(2-hydroxy-4-nitrophenyl)carbamate

Names & synonyms

benzyl N-(2-hydroxy-4-nitrophenyl)carbamate129697-60-5SCHEMBL9524996CSYKDOCURHICFR-UHFFFAOYSA-N2-(benzyloxycarbonylamino) -5-nitrophenol2-(N-benzyloxycarbonylamino) -5-nitrophenolEN300-6364044

Database identifiers

PubChem CID: 14745732

Properties

Computed structural properties

XLogP: 2.5
Topological polar surface area: 104 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 5
Rotatable bonds: 4
Heavy atoms: 21
Formal charge: 0
Complexity: 365

Related reactions

4 records

New reaction record

HRID 103801As productTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 940305As reactantValidation data from https://doi.org/10.1039/C8SC04228D

HRID 1885492As productuspto-grants-1992_09

HRID 1885493As reactantuspto-grants-1992_09

Compound notes

Loading…