4-(2-Fluoro-4-nitrophenyl)thiomorpholine - CAS 168828-70-4
Catalog: |
BB076949 |
Product Name: |
4-(2-Fluoro-4-nitrophenyl)thiomorpholine |
CAS: |
168828-70-4 |
Synonyms: |
Thiomorpholine, 4-(2-fluoro-4-nitrophenyl)-; 3-Fluoro-4-thiomorpholinonitrobenzene |
IUPAC Name: | 4-(2-fluoro-4-nitrophenyl)thiomorpholine |
Molecular Weight: | 242.27 |
Molecular Formula: | C10H11FN2O2S |
Canonical SMILES: | C1CSCCN1C2=C(C=C(C=C2)[N+](=O)[O-])F |
InChI: | InChI=1S/C10H11FN2O2S/c11-9-7-8(13(14)15)1-2-10(9)12-3-5-16-6-4-12/h1-2,7H,3-6H2 |
InChI Key: | PUZPGWLYSCSDBO-UHFFFAOYSA-N |
Boiling Point: | 411.1±45.0°C at 760 mmHg |
Purity: | ≥95% |
Density: | 1.4±0.1 g/cm3 |
Storage: | Store at RT |
Complexity: | 256 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 242.05252693 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 242.05252693 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 74.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.4 |
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