| CAS Number | 2439-92-1 |
| Catalog Number | AG006VAC(AGN-PC-0KKHGF) |
| Chemical Name | 4-Phenylisoxazole |
| IUPAC Name | 4-phenyl-1,2-oxazole |
| InChI | InChI=1S/C9H7NO/c1-2-4-8(5-3-1)9-6-10-11-7-9/h1-7H |
| InChI Key | KEVAZWIBJQZOHC-UHFFFAOYSA-N |
| MDL Number | MFCD01110614 |
| Molecular Formula | C9H7NO |
| Molecular Weight | 145.1580 |
| SMILES | C1C(C2=CC=CC=C2)=CON=1 |
| Synonyms | 4-Phenylisoxazole,
2439-92-1,
4-phenyl-1,2-oxazole,
Isoxazole, 4-phenyl-,
AC1MBG8Z,
SCHEMBL3577755,
CTK1A1091,
DTXSID00372794,
ZINC3845453,
AKOS004901213,
NE60440,
AB1008214,
FT-0692571,
P50002,
null,
ZINC03845453,
CID2750134,
|
| Complexity | 121 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 145.053g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 145.161g/mol |
| Monoisotopic Mass | 145.053g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 26A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number