| CAS Number | 1423027-63-7 |
| Catalog Number | AG01A24M |
| Chemical Name | 3-phenyl-[1,2]oxazolo[5,4-b]pyridine-5-sulfonyl chloride |
| IUPAC Name | 3-phenyl-[1,2]oxazolo[5,4-b]pyridine-5-sulfonyl chloride |
| InChI | InChI=1S/C12H7ClN2O3S/c13-19(16,17)9-6-10-11(8-4-2-1-3-5-8)15-18-12(10)14-7-9/h1-7H |
| InChI Key | RMENGPPTHWFIPN-UHFFFAOYSA-N |
| MDL Number | MFCD22578494 |
| Molecular Formula | C12H7ClN2O3S |
| Molecular Weight | 294.7136 |
| SMILES | ClS(C1=CC2=C(ON=C2C2=CC=CC=C2)N=C1)(=O)=O |
| Synonyms | 3-phenyl-[1,2]oxazolo[5,4-b]pyridine-5-sulfonyl chloride,
1423027-63-7,
ZINC100459877,
NE21439,
|
| Complexity | 419 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 293.987g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 294.709g/mol |
| Monoisotopic Mass | 293.987g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 81.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number