2-fluoro-4-(hydroxymethyl)benzonitrile - CAS 222978-02-1
Catalog: |
BB017516 |
Product Name: |
2-fluoro-4-(hydroxymethyl)benzonitrile |
CAS: |
222978-02-1 |
Synonyms: |
2-fluoro-4-(hydroxymethyl)benzonitrile; 2-fluoro-4-(hydroxymethyl)benzonitrile |
IUPAC Name: | 2-fluoro-4-(hydroxymethyl)benzonitrile |
Description: | 2-fluoro-4-(hydroxymethyl)benzonitrile (CAS# 222978-02-1) is a useful research chemical. |
Molecular Weight: | 151.14 |
Molecular Formula: | C8H6FNO |
Canonical SMILES: | C1=CC(=C(C=C1CO)F)C#N |
InChI: | InChI=1S/C8H6FNO/c9-8-3-6(5-11)1-2-7(8)4-10/h1-3,11H,5H2 |
InChI Key: | WLQHJQUGYACADR-UHFFFAOYSA-N |
Melting Point: | 66-68 ℃ |
Purity: | 95 % |
MDL: | MFCD08236861 |
LogP: | 1.18968 |
Publication Number | Title | Priority Date |
US-2020399258-A1 | Benzisoxazole Sulfonamide Derivatives | 20190618 |
WO-2020254946-A1 | Benzisoxazole sulfonamide derivatives | 20190618 |
US-2020039945-A1 | Compounds | 20180620 |
WO-2019243491-A1 | Compounds | 20180620 |
AU-2019289888-A1 | Compounds | 20180620 |
Complexity: | 174 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 151.043341977 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 151.043341977 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 44 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.9 |
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