2-Fluoro-6-nitroanisole - CAS 484-94-6
Catalog: |
BB026544 |
Product Name: |
2-Fluoro-6-nitroanisole |
CAS: |
484-94-6 |
Synonyms: |
1-fluoro-2-methoxy-3-nitrobenzene; 1-fluoro-2-methoxy-3-nitrobenzene |
IUPAC Name: | 1-fluoro-2-methoxy-3-nitrobenzene |
Description: | 2-Fluoro-6-nitroanisole (CAS# 484-94-6) is a derivative of 2-Fluoro-6-nitrophenol (F594845). Used as plant growth regulators. |
Molecular Weight: | 171.13 |
Molecular Formula: | C7H6FNO3 |
Canonical SMILES: | COC1=C(C=CC=C1F)[N+](=O)[O-] |
InChI: | InChI=1S/C7H6FNO3/c1-12-7-5(8)3-2-4-6(7)9(10)11/h2-4H,1H3 |
InChI Key: | RVPBBFKWSJLAPD-UHFFFAOYSA-N |
Boiling Point: | 266.4 °C at 760 mmHg |
Density: | 1.321 g/cm3 |
LogP: | 2.26570 |
Publication Number | Title | Priority Date |
EP-3572413-A1 | 1,2-dihydro-3h-pyrazolo[3,4-d]pyrimidin-3-one derivative as wee1 inhibitor | 20170123 |
US-10954253-B2 | 1,2-dihydro-3H-pyrazolo[3,4-d]pyrimidin-3-one derivative as Wee1 inhibitor | 20170123 |
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Complexity: | 171 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 171.03317122 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 171.03317122 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 55 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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