3,5-Bis(4-bromophenyl)isoxazole

HCID 12207756CAS 55368-74-6
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Basic information

Standard SMILES
Brc1ccc(-c2cc(-c3ccc(Br)cc3)on2)cc1
InChIKey
ITIKQGPIRUZTGM-UHFFFAOYSA-N
Molecular formula
C15H9Br2NO
Average molar mass
379.05 g/mol
Monoisotopic mass
376.90508811

Names & identifiers

Preferred name
3,5-Bis(4-bromophenyl)isoxazole
IUPAC
3,5-bis(4-bromophenyl)-1,2-oxazole

Names & synonyms

3,5-Bis(4-bromophenyl)isoxazole55368-74-6DTXSID90480478RefChem:271458DTXCID90431288Isoxazole, 3,5-bis(4-bromophenyl)-3,5-bis(4-bromophenyl)-1,2-oxazoleSCHEMBL1304712ITIKQGPIRUZTGM-UHFFFAOYSA-N

Database identifiers

CAS
55368-74-6
PubChem CID
12207756
DTXSID
DTXSID90480478
Nikkaji
J1.252.117K

Properties

Computed structural properties

XLogP
5.1
Topological polar surface area
26 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
2
Heavy atoms
19

Related reactions

9 records
New reaction record

Linked notes

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