| CAS Number | 39867-96-4 |
| Catalog Number | AG0076VT(AGN-PC-00PNML) |
| Chemical Name | 4-(Chloromethyl)-2-(4-nitrophenyl)-1,3-oxazole |
| IUPAC Name | 4-(chloromethyl)-2-(4-nitrophenyl)-1,3-oxazole |
| InChI | InChI=1S/C10H7ClN2O3/c11-5-8-6-16-10(12-8)7-1-3-9(4-2-7)13(14)15/h1-4,6H,5H2 |
| InChI Key | JDNZYRXCPGOUJI-UHFFFAOYSA-N |
| MDL Number | MFCD11845031 |
| Molecular Formula | C10H7ClN2O3 |
| Molecular Weight | 238.6272 |
| SMILES | [O-][N+](C1=CC=C(C2OC=C(CCl)N=2)C=C1)=O |
| Synonyms | 4-(chloromethyl)-2-(4-nitrophenyl)-1,3-oxazole,
39867-96-4,
Oxazole, 4-(chloromethyl)-2-(4-nitrophenyl)-,
CTK1A8136,
DTXSID00574039,
ZINC37933899,
AKOS010214616,
AB64578,
NE27032,
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| Complexity | 251 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 238.015g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 238.627g/mol |
| Monoisotopic Mass | 238.015g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 71.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
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Certificate of Analysis
Lot Number