| CAS Number | 126633-02-1 |
| Catalog Number | AG000T10(AGN-PC-0WAJDT) |
| Chemical Name | Isoxazole, 5-(3-nitrophenyl)- |
| IUPAC Name | 5-(3-nitrophenyl)-1,2-oxazole |
| InChI | InChI=1S/C9H6N2O3/c12-11(13)8-3-1-2-7(6-8)9-4-5-10-14-9/h1-6H |
| InChI Key | RGDHTIOOORKVRQ-UHFFFAOYSA-N |
| MDL Number | MFCD02183546 |
| Molecular Formula | C9H6N2O3 |
| Molecular Weight | 190.1555 |
| SMILES | O=[N+]([O-])C1=CC(C2=CC=NO2)=CC=C1 |
| Synonyms | 5-(3-Nitrophenyl)isoxazole,
126633-02-1,
5-(3-nitrophenyl)-1,2-oxazole,
AC1MC6Q9,
5-(3-Nitrophenyl)-isoxazole,
5-(3-nitro-phenyl)-isoxazole,
SCHEMBL20507168,
CTK5I3700,
ZINC2578088,
MFCD02183546,
SBB091072,
AKOS006229207,
5-(3-Nitrophenyl)isoxazole, AldrichCPR,
TR-040003,
Z-0478,
CID2737064,
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| Complexity | 217 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 190.038g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 190.158g/mol |
| Monoisotopic Mass | 190.038g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 71.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number