| CAS Number | 100948-84-3 |
| Catalog Number | AG00H9DX(AGN-PC-0WRADF) |
| Chemical Name | 1,2-Dichloro-4-methoxy-5-nitrobenzene |
| IUPAC Name | 1,2-dichloro-4-methoxy-5-nitrobenzene |
| InChI | InChI=1S/C7H5Cl2NO3/c1-13-7-3-5(9)4(8)2-6(7)10(11)12/h2-3H,1H3 |
| InChI Key | QFQSBAMTGUKFKS-UHFFFAOYSA-N |
| MDL Number | MFCD28787077 |
| Molecular Formula | C7H5Cl2NO3 |
| Molecular Weight | 222.0255 |
| SMILES | COc1cc(Cl)c(cc1[N+](=O)[O-])Cl |
| Synonyms | 1,2-dichloro-4-methoxy-5-nitrobenzene,
100948-84-3,
SCHEMBL10983166,
ZINC34300879,
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| Complexity | 197 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 220.965g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 222.021g/mol |
| Monoisotopic Mass | 220.965g/mol |
| Rotatable Bond Count | 1 |
| 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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