4-Fluoro-1-nitro-2-(pentan-2-yloxy)benzene - CAS 1314987-41-1
Catalog: |
BB064861 |
Product Name: |
4-Fluoro-1-nitro-2-(pentan-2-yloxy)benzene |
CAS: |
1314987-41-1 |
Synonyms: |
4-Fluoro-1-nitro-2-(pentan-2-yloxy)benzene; 4-fluoro-1-nitro-2-pentan-2-yloxybenzene; 4-Fluoro-2-(1-methylbutoxy)-1-nitrobenzene |
IUPAC Name: | 4-fluoro-1-nitro-2-pentan-2-yloxybenzene |
Description: | 4-Fluoro-1-nitro-2-(pentan-2-yloxy)benzene |
Molecular Weight: | 227.23 |
Molecular Formula: | C11H14FNO3 |
Canonical SMILES: | CCCC(C)OC1=C(C=CC(=C1)F)[N+](=O)[O-] |
InChI: | InChI=1S/C11H14FNO3/c1-3-4-8(2)16-11-7-9(12)5-6-10(11)13(14)15/h5-8H,3-4H2,1-2H3 |
InChI Key: | DMGXWZCNPSMBQT-UHFFFAOYSA-N |
Complexity: | 232 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 227.09577147 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 227.09577147 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 55Ų |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.5 |
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