5-Fluoro-2-methylbenzoxazole - CAS 701-16-6
Catalog: |
BB034075 |
Product Name: |
5-Fluoro-2-methylbenzoxazole |
CAS: |
701-16-6 |
Synonyms: |
5-fluoro-2-methyl-1,3-benzoxazole; 5-fluoro-2-methyl-1,3-benzoxazole |
IUPAC Name: | 5-fluoro-2-methyl-1,3-benzoxazole |
Description: | 5-Fluoro-2-methylbenzoxazole (CAS# 701-16-6) is used as a reactant in the preparation of benzothiadiazine compounds as CD73 inhibitors. |
Molecular Weight: | 151.14 |
Molecular Formula: | C8H6FNO |
Canonical SMILES: | CC1=NC2=C(O1)C=CC(=C2)F |
InChI: | InChI=1S/C8H6FNO/c1-5-10-7-4-6(9)2-3-8(7)11-5/h2-4H,1H3 |
InChI Key: | GYRZYFSJULFMCS-UHFFFAOYSA-N |
Boiling Point: | 90 °C / 10 mmHg |
Density: | 1.23 g/cm3 |
MDL: | MFCD02093471 |
LogP: | 2.27530 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2020116971-A1 | Compounds having pde9a inhibitory activity, and pharmaceutical uses thereof | 20181206 |
KR-20200068994-A | Compound for inhibiting PDE9A and medical uses thereof | 20181206 |
US-2021188814-A1 | Pyridazinone compounds and uses thereof | 20181106 |
EP-3636637-A1 | Inhibiting fatty acid synthase (fasn) | 20181010 |
WO-2019152731-A1 | Androgen receptor antagonists | 20180131 |
Complexity: | 153 |
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: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 151.043341977 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 26 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.3 |
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