p-Phenylene benzobisoxazole

HCID 691763
NotesReactions
Substructure searchFind similar structures

Basic information

CAS
904-39-2
Standard SMILES
c1ccc2oc(-c3ccc(-c4nc5ccccc5o4)cc3)nc2c1
InChIKey
ICXAPFWGVRTEKV-UHFFFAOYSA-N
Molecular formula
C20H12N2O2
Average molar mass
312.3 g/mol
Monoisotopic mass
312.08987762

Names & identifiers

Preferred name
p-Phenylene benzobisoxazole
IUPAC
2-[4-(1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole

Names & synonyms

904-39-2p-phenylene benzobisoxazoleDTXSID00351125RefChem:367734DTXCID003021922-[4-(1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazoleBenzoxazole, 2,2'-(1,4-phenylene)bis-2,2'-benzene-1,4-diylbis(1,3-benzoxazole)Oprea1_201558Oprea1_855473SCHEMBL31170ICXAPFWGVRTEKV-UHFFFAOYSA-N
Show more names
2,2'-p-phenylene-bis-benzoxazoleHMS1607P19CCG-15237STK098461AKOS0002983651,4-Bis(benzo[d]oxazol-2-yl)benzene2-(4-benzoxazol-2-ylphenyl)benzoxazoleST4028044

Database identifiers

CAS
904-39-2
PubChem CID
691763
DTXSID
DTXSID00351125
Nikkaji
J808.717B

Properties

Computed structural properties

XLogP
4.9
Topological polar surface area
52.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
2
Heavy atoms
24

Related reactions

1 records
New reaction record

Compound notes

Loading…