| CAS Number | 1480388-66-6 |
| Catalog Number | AG01BFA8 |
| Chemical Name | 5-(3-Chlorophenyl)-1,2-oxazol-3-amine |
| IUPAC Name | 5-(3-chlorophenyl)-1,2-oxazol-3-amine |
| InChI | InChI=1S/C9H7ClN2O/c10-7-3-1-2-6(4-7)8-5-9(11)12-13-8/h1-5H,(H2,11,12) |
| InChI Key | OOFVSXBAFUJIPE-UHFFFAOYSA-N |
| MDL Number | MFCD21717263 |
| Molecular Formula | C9H7ClN2O |
| Molecular Weight | 194.6177 |
| SMILES | NC1=NOC(C2=CC(Cl)=CC=C2)=C1 |
| Synonyms | 5-(3-chlorophenyl)-1,2-oxazol-3-amine,
1480388-66-6,
SCHEMBL16825991,
ZINC85278463,
AKOS015542104,
NE34066,
|
| Complexity | 179 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 194.025g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 194.618g/mol |
| Monoisotopic Mass | 194.025g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 52A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
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Certificate of Analysis
Lot Number