2-Fluoro-4-isopropoxy-1-nitrobenzene - CAS 28987-50-0
Catalog: |
BB063394 |
Product Name: |
2-Fluoro-4-isopropoxy-1-nitrobenzene |
CAS: |
28987-50-0 |
Synonyms: |
2-Fluoro-4-isopropoxy-1-nitrobenzene; 2-fluoro-1-nitro-4-propan-2-yloxybenzene; 4-isopropoxy-2-fluoronitrobenzene |
IUPAC Name: | 2-fluoro-1-nitro-4-propan-2-yloxybenzene |
Description: | 2-Fluoro-4-isopropoxy-1-nitrobenzene |
Molecular Weight: | 199.18 |
Molecular Formula: | C9H10FNO3 |
Canonical SMILES: | CC(C)OC1=CC(=C(C=C1)[N+](=O)[O-])F |
InChI: | InChI=1S/C9H10FNO3/c1-6(2)14-7-3-4-9(11(12)13)8(10)5-7/h3-6H,1-2H3 |
InChI Key: | REPLNSXVODYQGI-UHFFFAOYSA-N |
Complexity: | 205 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 199.06447134 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 199.06447134 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 55Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.6 |
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