(R)-1-(2,4-Difluorophenyl)-2-hydroxy-1-propanone - CAS 126918-16-9
Catalog: |
BB068712 |
Product Name: |
(R)-1-(2,4-Difluorophenyl)-2-hydroxy-1-propanone |
CAS: |
126918-16-9 |
Synonyms: |
EFN DIOL Hydroxy Impurity A; (2R)-1-(2,4-Difluorophenyl)-2-hydroxy-1-propanone |
IUPAC Name: | (2R)-1-(2,4-difluorophenyl)-2-hydroxypropan-1-one |
Description: | (R)-1-(2,4-Difluorophenyl)-2-hydroxy-1-propanone is a useful reagent for producing epoxy alcohol compounds. |
Molecular Weight: | 186.16 |
Molecular Formula: | C9H8F2O2 |
Canonical SMILES: | CC(C(=O)C1=C(C=C(C=C1)F)F)O |
InChI: | InChI=1S/C9H8F2O2/c1-5(12)9(13)7-3-2-6(10)4-8(7)11/h2-5,12H,1H3/t5-/m1/s1 |
InChI Key: | REHMWFXPLWURSF-RXMQYKEDSA-N |
References: | Ando, K., et al. PCT Int. Appl. (2019), WO 2019031240 A1. |
Complexity: | 196 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 1 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 186.04923582 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 186.04923582 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 37.3Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.6 |
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