4,4-Difluorocyclohexanol - CAS 22419-35-8
Catalog: |
BB017583 |
Product Name: |
4,4-Difluorocyclohexanol |
CAS: |
22419-35-8 |
Synonyms: |
4,4-difluorocyclohexan-1-ol |
IUPAC Name: | 4,4-difluorocyclohexan-1-ol |
Description: | 4,4-Difluorocyclohexanol (CAS# 22419-35-8) is a reagent used in the clearance of adenosine inhibitors of bacterial NAD+-dependent DNA ligase. |
Molecular Weight: | 136.14 |
Molecular Formula: | C6H10F2O |
Canonical SMILES: | C1CC(CCC1O)(F)F |
InChI: | InChI=1S/C6H10F2O/c7-6(8)3-1-5(9)2-4-6/h5,9H,1-4H2 |
InChI Key: | XTJZBCBHCPQASK-UHFFFAOYSA-N |
Boiling Point: | 160.6 °C at 760 mmHg |
Purity: | 98 % |
Density: | 1.15 g/cm3 |
Appearance: | White powder |
MDL: | MFCD10000566 |
LogP: | 1.55660 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021176366-A1 | Inhibitors of human immunodeficiency virus replication | 20200306 |
WO-2021167882-A1 | Antiviral compounds | 20200218 |
WO-2021117846-A1 | Compound serving as pdgf receptor kinase inhibitor, and composition | 20191213 |
WO-2021097110-A1 | Therapeutic compounds and methods of use | 20191113 |
WO-2021085370-A1 | Azole derivative and use thereof | 20191031 |
Complexity: | 93.2 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 136.06997126 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 136.06997126 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 20.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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