benzyl N-(2-nitrophenyl)carbamate

HCID 298752

Notes Reactions

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Basic information

CAS: 23091-35-2
Standard SMILES: O=C(Nc1ccccc1[N+](=O)[O-])OCc1ccccc1
InChIKey: LGFRPSBWXQHKGN-UHFFFAOYSA-N
Molecular formula: C14H12N2O4
Average molar mass: 272.26 g/mol
Monoisotopic mass: 272.07970687

Names & identifiers

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

Names & synonyms

benzyl N-(2-nitrophenyl)carbamate23091-35-2N-benzyloxycarbonyl-2-nitroanilineNSC171067SCHEMBL6672269DTXSID20945767LGFRPSBWXQHKGN-UHFFFAOYSA-NNSC-171067Benzyl hydrogen (2-nitrophenyl)carbonimidateEN300-71011535176-46-5

Database identifiers

CAS: 23091-35-2
PubChem CID: 298752
DTXSID: DTXSID20945767

Properties

Computed structural properties

XLogP: 3.6
Topological polar surface area: 84.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 4
Heavy atoms: 20
Formal charge: 0
Complexity: 337

Related reactions

2 records

New reaction record

HRID 816512As productTest data from https://doi.org/10.1039/C8SC04228D

HRID 987205As productuspto-grants-2003_10

Compound notes

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