| CAS Number | 69918-19-0 |
| Catalog Number | AG005H1T(AGN-PC-0WB384) |
| Chemical Name | 5-BROMO-2-PHENYL-1,3-BENZOXAZOLE |
| IUPAC Name | 5-bromo-2-phenyl-1,3-benzoxazole |
| InChI | InChI=1S/C13H8BrNO/c14-10-6-7-12-11(8-10)15-13(16-12)9-4-2-1-3-5-9/h1-8H |
| InChI Key | WOTNVYMPQOWYSY-UHFFFAOYSA-N |
| MDL Number | MFCD09055181 |
| Molecular Formula | C13H8BrNO |
| Molecular Weight | 274.1127 |
| SMILES | BrC1=CC=C(OC(C2=CC=CC=C2)=N3)C3=C1 |
| Synonyms | 5-BROMO-2-PHENYL-1,3-BENZOXAZOLE,
69918-19-0,
5-Bromo-2-phenylbenzo[d]oxazole,
2-Phenyl-5-bromobenzoxazole,
SCHEMBL9966868,
CTK5D1552,
DTXSID90500185,
ZX-CM001990,
MFCD09055181,
ZINC19087831,
AKOS022184530,
AJ-70851,
5-Bromo-2-phenyl-1,3-benzoxazole, AldrichCPR,
Y-5023,
ACN-041946,
|
| Complexity | 242 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 272.979g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 274.117g/mol |
| Monoisotopic Mass | 272.979g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 26A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.1 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number