2-Butoxy-4-fluoro-1-nitrobenzene - CAS 28987-47-5
Catalog: |
BB055362 |
Product Name: |
2-Butoxy-4-fluoro-1-nitrobenzene |
CAS: |
28987-47-5 |
Synonyms: |
2-Butoxy-4-fluoro-1-nitrobenzene |
IUPAC Name: | 2-butoxy-4-fluoro-1-nitrobenzene |
Description: | 2-Butoxy-4-fluoro-1-nitrobenzene |
Molecular Weight: | 213.21 |
Molecular Formula: | C10H12FNO3 |
Canonical SMILES: | CCCCOC1=C(C=CC(=C1)F)[N+](=O)[O-] |
InChI: | InChI=1S/C10H12FNO3/c1-2-3-6-15-10-7-8(11)4-5-9(10)12(13)14/h4-5,7H,2-3,6H2,1H3 |
InChI Key: | KFNYFOBLEIPMEZ-UHFFFAOYSA-N |
Complexity: | 207 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 213.08012141 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 213.08012141 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 55Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.5 |
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