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2-(3-{[Tert-butyl-(dimethyl)silyl]oxy}-4-bromomethylphenyl)-1,3-benzoxazole

HCID 69584553
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CC(C)(C)[Si](C)(C)Oc1cc(-c2nc3ccccc3o2)ccc1CBr
InChIKey
UDMLPZSJVKYOAT-UHFFFAOYSA-N
Molecular formula
C20H24BrNO2Si
Average molar mass
418.4 g/mol

Names & identifiers

Preferred name
2-(3-{[Tert-butyl-(dimethyl)silyl]oxy}-4-bromomethylphenyl)-1,3-benzoxazole
IUPAC
[5-(1,3-benzoxazol-2-yl)-2-(bromomethyl)phenoxy]-tert-butyl-dimethylsilane

Names & synonyms

SCHEMBL5832553UDMLPZSJVKYOAT-UHFFFAOYSA-N2-(3-{[tert-butyl-(dimethyl)silyl]oxy}-4-bromomethylphenyl)-1,3-benzoxazole

Database identifiers

PubChem CID
69584553

Properties

Computed structural properties

Topological polar surface area
35.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
5
Heavy atoms
25
Formal charge
0
Complexity
453

Related reactions

4 records
New reaction record
HRID 7707 reaction equation
HRID 7707As reactantuspto-grants-2006_08
HRID 7710 reaction equation
HRID 7710As productuspto-grants-2006_08
HRID 7711 reaction equation
HRID 7711As reactantuspto-grants-2006_08
HRID 99687 reaction equation
HRID 99687As productTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes