| CAS Number | 1803590-30-8 |
| Catalog Number | AG01AFS3 |
| Chemical Name | 4-chloro-1-[(1-methoxypropan-2-yl)oxy]-2-nitrobenzene |
| IUPAC Name | 4-chloro-1-(1-methoxypropan-2-yloxy)-2-nitrobenzene |
| InChI | InChI=1S/C10H12ClNO4/c1-7(6-15-2)16-10-4-3-8(11)5-9(10)12(13)14/h3-5,7H,6H2,1-2H3 |
| InChI Key | VBNFAZYMYFVMFE-UHFFFAOYSA-N |
| MDL Number | MFCD27980651 |
| Molecular Formula | C10H12ClNO4 |
| Molecular Weight | 245.6596 |
| SMILES | COCC(OC1=C([N+]([O-])=O)C=C(Cl)C=C1)C |
| Synonyms | 4-chloro-1-[(1-methoxypropan-2-yl)oxy]-2-nitrobenzene,
1803590-30-8,
|
| Complexity | 233 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 245.045g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 245.659g/mol |
| Monoisotopic Mass | 245.045g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 64.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
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Certificate of Analysis
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