1,1,1-Trifluoro-3-nitro-2-propanol - CAS 453-35-0
Catalog: |
BB025837 |
Product Name: |
1,1,1-Trifluoro-3-nitro-2-propanol |
CAS: |
453-35-0 |
Synonyms: |
1,1,1-trifluoro-3-nitro-2-propanol; 1,1,1-trifluoro-3-nitropropan-2-ol |
IUPAC Name: | 1,1,1-trifluoro-3-nitropropan-2-ol |
Description: | 1,1,1-Trifluoro-3-nitro-2-propanol (CAS# 453-35-0) is a useful research chemical compound. |
Molecular Weight: | 159.06 |
Molecular Formula: | C3H4F3NO3 |
Canonical SMILES: | C(C(C(F)(F)F)O)[N+](=O)[O-] |
InChI: | InChI=1S/C3H4F3NO3/c4-3(5,6)2(8)1-7(9)10/h2,8H,1H2 |
InChI Key: | OKGNJIYNSOKKFT-UHFFFAOYSA-N |
Boiling Point: | 60 °C |
Density: | 1.513 g/cm3 |
MDL: | MFCD01328287 |
LogP: | 0.70950 |
Publication Number | Title | Priority Date |
WO-2018011160-A1 | 6,7-dihydro-4h-pyrazolo[1,5-a]pyrazine compounds for the treatment of infectious diseases | 20160714 |
AU-2009223693-A1 | Azabicyclo [3.2.1] octyl derivatives as 11 beta-HSD1 modulators | 20080314 |
CA-2718038-A1 | Azabicyclo [3.2.1] octyl derivatives as 11 beta-hsd1 modulators | 20080314 |
JP-2011514357-A | Azabicyclo [3.2.1] octyl derivatives as 11β-HSD1 modulators | 20080314 |
JP-5509104-B2 | Azabicyclo [3.2.1] octyl derivatives as 11β-HSD1 modulators | 20080314 |
Complexity: | 128 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 159.01432748 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 159.01432748 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 66 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.5 |
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