4-Fluorobenzoxazol-2(3H)-one - CAS 590422-12-1
Catalog: |
BB030255 |
Product Name: |
4-Fluorobenzoxazol-2(3H)-one |
CAS: |
590422-12-1 |
Synonyms: |
4-fluoro-3H-1,3-benzoxazol-2-one; 4-fluoro-3H-1,3-benzoxazol-2-one |
IUPAC Name: | 4-fluoro-3H-1,3-benzoxazol-2-one |
Description: | 4-Fluorobenzoxazol-2(3H)-one (CAS# 590422-12-1 ) is a useful research chemical. |
Molecular Weight: | 153.11 |
Molecular Formula: | C7H4FNO2 |
Canonical SMILES: | C1=CC2=C(C(=C1)F)NC(=O)O2 |
InChI: | InChI=1S/C7H4FNO2/c8-4-2-1-3-5-6(4)9-7(10)11-5/h1-3H,(H,9,10) |
InChI Key: | DLNMLICVXVLIKO-UHFFFAOYSA-N |
LogP: | 1.26020 |
Publication Number | Title | Priority Date |
WO-2018205948-A1 | Compounds | 20170511 |
AU-2017316742-A1 | Antibiotic compounds | 20160822 |
CA-3034000-A1 | Antibiotic compounds | 20160822 |
EP-3500567-A1 | Antibiotic compounds | 20160822 |
JP-2019528291-A | Antibiotic compounds | 20160822 |
Complexity: | 185 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 153.02260653 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 153.02260653 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 38.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.2 |
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