benzyl N-[(4-nitrophenyl)methyl]carbamate

HCID 309745

Notes Reactions

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Basic information

CAS: 39896-94-1
Standard SMILES: O=C(NCc1ccc([N+](=O)[O-])cc1)OCc1ccccc1
InChIKey: QHHZTTKULVMRKU-UHFFFAOYSA-N
Molecular formula: C15H14N2O4
Average molar mass: 286.28 g/mol
Monoisotopic mass: 286.09535693

Names & identifiers

Preferred name: benzyl N-[(4-nitrophenyl)methyl]carbamate
IUPAC: benzyl N-[(4-nitrophenyl)methyl]carbamate

Names & synonyms

benzyl N-[(4-nitrophenyl)methyl]carbamate39896-94-1NSC212171SCHEMBL6966891DTXSID60309501NSC-212171Benzyl [(4-nitrophenyl)methyl]carbamateEN300-12692571

Database identifiers

CAS: 39896-94-1
PubChem CID: 309745
DTXSID: DTXSID60309501
Nikkaji: J1.452.277H

Properties

Computed structural properties

XLogP: 2.8
Topological polar surface area: 84.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 5
Heavy atoms: 21
Formal charge: 0
Complexity: 342

Related reactions

2 records

New reaction record

HRID 807290As reactantTest data from https://doi.org/10.1039/C8SC04228D

HRID 824748As productTest data from https://doi.org/10.1039/C8SC04228D

Compound notes

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