1-Azido-2,4,5-trifluorobenzene - CAS 1339109-39-5
Catalog: |
BB075575 |
Product Name: |
1-Azido-2,4,5-trifluorobenzene |
CAS: |
1339109-39-5 |
Synonyms: |
2,4,5-Trifluorophenyl azide |
IUPAC Name: | 1-azido-2,4,5-trifluorobenzene |
Description: | 1-Azido-2,4,5-trifluorobenzene is a useful research chemical used in the effective synthesis of chiral N-fluoroaryl aziridines. |
Molecular Weight: | 173.1 |
Molecular Formula: | C6H2F3N3 |
Canonical SMILES: | C1=C(C(=CC(=C1F)F)F)N=[N+]=[N-] |
InChI: | InChI=1S/C6H2F3N3/c7-3-1-5(9)6(11-12-10)2-4(3)8/h1-2H |
InChI Key: | YJHIWKHYATVYGM-UHFFFAOYSA-N |
References: | Jin, L., et al. Angew. Chem. Int. Ed. 52, 20, 5309-13, (2013). |
Complexity: | 204 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 173.02008156 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 173.02008156 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 14.4Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.2 |
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