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Tert-butyl 2-amino-4-phenoxybenzoate

HCID 58508592
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CC(C)(C)OC(=O)c1ccc(Oc2ccccc2)cc1N
InChIKey
NKVRWSWRZNUJSF-UHFFFAOYSA-N
Molecular formula
C17H19NO3
Average molar mass
285.34 g/mol

Names & identifiers

Preferred name
Tert-butyl 2-amino-4-phenoxybenzoate
IUPAC
tert-butyl 2-amino-4-phenoxybenzoate

Names & synonyms

SCHEMBL1316195NKVRWSWRZNUJSF-UHFFFAOYSA-Ntert-butyl 2-amino-4-phenoxybenzoate

Database identifiers

PubChem CID
58508592

Properties

Computed structural properties

XLogP
4.2
Topological polar surface area
61.6 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
5
Heavy atoms
21
Formal charge
0
Complexity
344

Related reactions

30 records
New reaction record
HRID 88069 reaction equation
HRID 88069As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 99949 reaction equation
HRID 99949As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 205402 reaction equation
HRID 205402As productTraining data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID 281621 reaction equation
HRID 281621As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)
HRID 306646 reaction equation
HRID 306646As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)
HRID 806529 reaction equation
HRID 806529As reactantTest data from https://doi.org/10.1039/C8SC04228D
HRID 829906 reaction equation
HRID 829906As reactantTest data from https://doi.org/10.1039/C8SC04228D
HRID 837739 reaction equation
HRID 837739As reactantTest data from https://doi.org/10.1039/C8SC04228D
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Compound notes

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