| CAS Number | 27412-06-2 |
| Catalog Number | AG00BO4A(AGN-PC-0R36WH) |
| Chemical Name | 5-Chlorobenzo[d]oxazole-2-carbaldehyde oxime |
| IUPAC Name | N-[(5-chloro-1,3-benzoxazol-2-yl)methylidene]hydroxylamine |
| InChI | InChI=1S/C8H5ClN2O2/c9-5-1-2-7-6(3-5)11-8(13-7)4-10-12/h1-4,12H |
| InChI Key | WZEYFHXRDKABGA-UHFFFAOYSA-N |
| MDL Number | MFCD05263195 |
| Molecular Formula | C8H5ClN2O2 |
| Molecular Weight | 196.5905 |
| SMILES | ON=CC1OC2=C(C=C(C=C2)Cl)N=1 |
| Synonyms | 5-Chlorobenzo[d]oxazole-2-carbaldehyde oxime,
27412-06-2,
N-[(5-chloro-1,3-benzoxazol-2-yl)methylidene]hydroxylamine,
CTK4F9627,
HMS2712I11,
MCULE-3512153319,
2-Benzoxazolecarboxaldehyde,5-chloro-, oxime,
Z56968872,
5-chloro-1,3-benzoxazole-2-carbaldehyde oxime,
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| Complexity | 212 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 196.004g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 196.59g/mol |
| Monoisotopic Mass | 196.004g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 58.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number