| CAS Number | 1351668-24-0 |
| Catalog Number | AG00HTWY(AGN-PC-0WR8G1) |
| Chemical Name | 4-Chloro-2-fluoro-3-methylphenol |
| IUPAC Name | 4-chloro-2-fluoro-3-methylphenol |
| InChI | InChI=1S/C7H6ClFO/c1-4-5(8)2-3-6(10)7(4)9/h2-3,10H,1H3 |
| InChI Key | JJGRYIOEURYVRJ-UHFFFAOYSA-N |
| MDL Number | MFCD20526390 |
| Molecular Formula | C7H6ClFO |
| Molecular Weight | 160.5733 |
| SMILES | c1(c(ccc(c1F)O)Cl)C |
| Synonyms | 4-Chloro-2-fluoro-3-methylphenol,
1351668-24-0,
MFCD20526390,
ZINC90413793,
Z1508,
Q-7406,
C7H6ClFO,
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| Complexity | 120 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 160.009g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 160.572g/mol |
| Monoisotopic Mass | 160.009g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 20.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
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Certificate of Analysis
Lot Number