tert-Butyl (4-ethynyl-2-nitrophenyl)carbamate

HCID 23554338
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Basic information

Standard SMILES
C#Cc1ccc(NC(=O)OC(C)(C)C)c([N+](=O)[O-])c1
InChIKey
XMYXDMJZHVRYKZ-UHFFFAOYSA-N
Molecular formula
C13H14N2O4
Average molar mass
262.26 g/mol

Names & identifiers

Preferred name
tert-Butyl (4-ethynyl-2-nitrophenyl)carbamate
IUPAC
tert-butyl N-(4-ethynyl-2-nitrophenyl)carbamate

Names & synonyms

335255-14-6tert-Butyl (4-ethynyl-2-nitrophenyl)carbamateSCHEMBL5562552XMYXDMJZHVRYKZ-UHFFFAOYSA-NDB-210524Tert-butyl 4-ethynyl-2-nitrophenylcarbamate(4-Ethynyl-2-nitro-phenyl)-carbamic acid tert.-butyl ester

Database identifiers

PubChem CID
23554338

Properties

Computed structural properties

XLogP
2.8
Topological polar surface area
84.2 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
4
Heavy atoms
19

Related reactions

33 records
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Compound notes

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