| CAS Number | 112251-93-1 |
| Catalog Number | AG00HCDA(AGN-PC-0WQZ5Y) |
| Chemical Name | 3-Chloro-4-methyl-2-nitrophenol |
| IUPAC Name | 3-chloro-4-methyl-2-nitrophenol |
| InChI | InChI=1S/C7H6ClNO3/c1-4-2-3-5(10)7(6(4)8)9(11)12/h2-3,10H,1H3 |
| InChI Key | VCBOOMGORINFOQ-UHFFFAOYSA-N |
| MDL Number | MFCD28096627 |
| Molecular Formula | C7H6ClNO3 |
| Molecular Weight | 187.5804 |
| SMILES | [O-][N+](=O)c1c(O)ccc(c1Cl)C |
| Synonyms | 3-Chloro-4-methyl-2-nitrophenol,
112251-93-1,
ZINC169725146,
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| Complexity | 182 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 187.004g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 187.579g/mol |
| Monoisotopic Mass | 187.004g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 66A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
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Certificate of Analysis
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