| CAS Number | 929975-19-9 |
| Catalog Number | AG019KFQ(AGN-PC-0WO32F) |
| Chemical Name | 4,4,4-Trifluoro-3-hydroxy-3-(5-methylfuran-2-yl)butanenitrile |
| IUPAC Name | 4,4,4-trifluoro-3-hydroxy-3-(5-methylfuran-2-yl)butanenitrile |
| InChI | InChI=1S/C9H8F3NO2/c1-6-2-3-7(15-6)8(14,4-5-13)9(10,11)12/h2-3,14H,4H2,1H3 |
| InChI Key | LBYARJYXQDATNV-UHFFFAOYSA-N |
| MDL Number | MFCD09040404 |
| Molecular Formula | C9H8F3NO2 |
| Molecular Weight | 219.1605 |
| SMILES | CC1OC(C(C(F)(F)F)(CC#N)O)=CC=1 |
| Synonyms | 4,4,4-trifluoro-3-hydroxy-3-(5-methylfuran-2-yl)butanenitrile,
929975-19-9,
4,4,4-trifluoro-3-hydroxy-3-(5-methyl-2-furyl)butanenitrile,
EN300-26772,
AC1Q2MNX,
CTK7C9552,
AKOS026727083,
MCULE-8486165113,
NE30009,
Z235417026,
|
| Complexity | 283 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 219.051g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 219.163g/mol |
| Monoisotopic Mass | 219.051g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 57.2A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
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Certificate of Analysis
Lot Number