| CAS Number | 1909336-39-5 |
| Catalog Number | AG01C36K |
| Chemical Name | 3-(2,3-dichlorophenyl)-2-methyl-2-nitrooxirane |
| IUPAC Name | 3-(2,3-dichlorophenyl)-2-methyl-2-nitrooxirane |
| InChI | InChI=1S/C9H7Cl2NO3/c1-9(12(13)14)8(15-9)5-3-2-4-6(10)7(5)11/h2-4,8H,1H3 |
| InChI Key | ZUKKYMPSYKINBM-UHFFFAOYSA-N |
| MDL Number | MFCD29060343 |
| Molecular Formula | C9H7Cl2NO3 |
| Molecular Weight | 248.0628 |
| SMILES | CC1([N+]([O-])=O)C(C2=C(Cl)C(Cl)=CC=C2)O1 |
| Synonyms | 3-(2,3-dichlorophenyl)-2-methyl-2-nitrooxirane,
1909336-39-5,
|
| Complexity | 283 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 246.98g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 248.059g/mol |
| Monoisotopic Mass | 246.98g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 58.4A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
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Certificate of Analysis
Lot Number