| CAS Number | 858855-23-9 |
| Catalog Number | AG00IDT1(AGN-PC-0WR7LK) |
| Chemical Name | 1-chloro-3-ethoxy-5-nitrobenzene |
| IUPAC Name | 1-chloro-3-ethoxy-5-nitrobenzene |
| InChI | InChI=1S/C8H8ClNO3/c1-2-13-8-4-6(9)3-7(5-8)10(11)12/h3-5H,2H2,1H3 |
| InChI Key | FMSMARXRTYCKNG-UHFFFAOYSA-N |
| MDL Number | MFCD29043422 |
| Molecular Formula | C8H8ClNO3 |
| Molecular Weight | 201.6070 |
| SMILES | CCOc1cc(Cl)cc(c1)[N+](=O)[O-] |
| Synonyms | 1-CHLORO-3-ETHOXY-5-NITROBENZENE,
858855-23-9,
ZINC261493598,
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| Complexity | 183 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 201.019g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 201.606g/mol |
| Monoisotopic Mass | 201.019g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 55A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
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Certificate of Analysis
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