2,2,2-Trifluoro-1-(5-indazolyl)ethanone - CAS 403660-48-0
Catalog: |
BB024472 |
Product Name: |
2,2,2-Trifluoro-1-(5-indazolyl)ethanone |
CAS: |
403660-48-0 |
Synonyms: |
2,2,2-trifluoro-1-(1H-indazol-5-yl)ethanone; 2,2,2-trifluoro-1-(1H-indazol-5-yl)ethanone |
IUPAC Name: | 2,2,2-trifluoro-1-(1H-indazol-5-yl)ethanone |
Description: | 2,2,2-Trifluoro-1-(5-indazolyl)ethanone (CAS# 403660-48-0) is a useful research chemical compound. |
Molecular Weight: | 214.14 |
Molecular Formula: | C9H5F3N2O |
Canonical SMILES: | C1=CC2=C(C=C1C(=O)C(F)(F)F)C=NN2 |
InChI: | InChI=1S/C9H5F3N2O/c10-9(11,12)8(15)5-1-2-7-6(3-5)4-13-14-7/h1-4H,(H,13,14) |
InChI Key: | UAZVGXXGCZPWGT-UHFFFAOYSA-N |
LogP: | 2.30790 |
Complexity: | 267 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 214.03539727 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 214.03539727 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 45.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3 |
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