| CAS Number | 682339-44-2 |
| Catalog Number | AG01C3ZR(AGN-PC-0OGIE5) |
| Chemical Name | 5-nitro-2-[(oxiran-2-yl)methoxy]phenol |
| IUPAC Name | 5-nitro-2-(oxiran-2-ylmethoxy)phenol |
| InChI | InChI=1S/C9H9NO5/c11-8-3-6(10(12)13)1-2-9(8)15-5-7-4-14-7/h1-3,7,11H,4-5H2 |
| InChI Key | CTRHKWRKWVRFBW-UHFFFAOYSA-N |
| MDL Number | MFCD29906860 |
| Molecular Formula | C9H9NO5 |
| Molecular Weight | 211.1715 |
| SMILES | OC1=C(OCC2OC2)C=CC([N+]([O-])=O)=C1 |
| Synonyms | 5-nitro-2-[(oxiran-2-yl)methoxy]phenol,
682339-44-2,
SCHEMBL5937140,
5-nitro-2-(oxiran-2-ylmethoxy)phenol,
|
| Complexity | 241 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 211.048g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 211.173g/mol |
| Monoisotopic Mass | 211.048g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 87.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
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Certificate of Analysis
Lot Number