4-Azido-4-(4-fluorophenyl)oxane - CAS 1305712-61-1
Catalog: |
BB073262 |
Product Name: |
4-Azido-4-(4-fluorophenyl)oxane |
CAS: |
1305712-61-1 |
Synonyms: |
4-azido-4-(4-fluorophenyl)oxane; 2H-Pyran, 4-azido-4-(4-fluorophenyl)tetrahydro- |
IUPAC Name: | 4-azido-4-(4-fluorophenyl)oxane |
Molecular Weight: | 221.23 |
Molecular Formula: | C11H12N3OF |
Canonical SMILES: | C1COCCC1(C2=CC=C(C=C2)F)N=[N+]=[N-] |
InChI: | InChI=1S/C11H12FN3O/c12-10-3-1-9(2-4-10)11(14-15-13)5-7-16-8-6-11/h1-4H,5-8H2 |
InChI Key: | PKFMWERNGBFMKQ-UHFFFAOYSA-N |
Complexity: | 277 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 221.09644018 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 221.09644018 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 23.6Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.1 |
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