7-Fluoro-2H-1,4-benzoxazin-3(4H)-one - CAS 103361-99-5
Catalog: |
BB001093 |
Product Name: |
7-Fluoro-2H-1,4-benzoxazin-3(4H)-one |
CAS: |
103361-99-5 |
Synonyms: |
7-fluoro-4H-1,4-benzoxazin-3-one; 7-fluoro-4H-1,4-benzoxazin-3-one |
IUPAC Name: | 7-fluoro-4H-1,4-benzoxazin-3-one |
Description: | 7-Fluoro-2H-1,4-benzoxazin-3(4H)-one (CAS# 103361-99-5) is a useful research chemical. |
Molecular Weight: | 167.14 |
Molecular Formula: | C8H6FNO2 |
Canonical SMILES: | C1C(=O)NC2=C(O1)C=C(C=C2)F |
InChI: | InChI=1S/C8H6FNO2/c9-5-1-2-6-7(3-5)12-4-8(11)10-6/h1-3H,4H2,(H,10,11) |
InChI Key: | TXRXHEOGQVPEBT-UHFFFAOYSA-N |
Boiling Point: | 327.871 °C at 760 mmHg |
Melting Point: | 203-205 °C |
Purity: | 95 % |
Density: | 1.347 g/cm3 |
MDL: | MFCD07774200 |
LogP: | 1.29460 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-113045557-A | Production process of flumioxazin herbicide | 20210308 |
US-2021317079-A1 | Tetralin and tetrahydroquinoline compounds as inhibitors of hif-2alpha | 20200319 |
WO-2021047677-A1 | Irak4 kinase inhibitor and preparation thereof and use thereof | 20190912 |
WO-2019223732-A1 | P-phenylenediamine derivative as potassium channel regulator and preparation method and medical application thereof | 20180522 |
AU-2019272383-A1 | P-Phenylenediamine Derivative As Potassium Channel Regulator And Preparation Method And Medical Application Thereof | 20180522 |
PMID | Publication Date | Title | Journal |
17177510 | 20061227 | New herbicide models from benzoxazinones: aromatic ring functionalization effects | Journal of agricultural and food chemistry |
Complexity: | 198 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 167.03825660 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 167.03825660 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 38.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1 |
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