| CAS Number | 14164-14-8 |
| Catalog Number | AG00HW4T(AGN-PC-0WNXGE) |
| Chemical Name | 5-Chloro-4-methoxy-2-nitrophenol |
| IUPAC Name | 5-chloro-4-methoxy-2-nitrophenol |
| InChI | InChI=1S/C7H6ClNO4/c1-13-7-3-5(9(11)12)6(10)2-4(7)8/h2-3,10H,1H3 |
| InChI Key | GGWLSLLQZLCHFW-UHFFFAOYSA-N |
| MDL Number | MFCD28024835 |
| Molecular Formula | C7H6ClNO4 |
| Molecular Weight | 203.5798 |
| SMILES | COc1cc([N+](=O)[O-])c(cc1Cl)O |
| Synonyms | 5-Chloro-4-methoxy-2-nitrophenol,
14164-14-8,
SCHEMBL19899586,
ZINC169725145,
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| Complexity | 195 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 202.999g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 203.578g/mol |
| Monoisotopic Mass | 202.999g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 75.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
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Certificate of Analysis
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