7-Bromo-2H-benzo[b][1,4]oxazin-3(4H)-one - CAS 321436-06-0
Catalog: |
BB021201 |
Product Name: |
7-Bromo-2H-benzo[b][1,4]oxazin-3(4H)-one |
CAS: |
321436-06-0 |
Synonyms: |
7-bromo-4H-1,4-benzoxazin-3-one; 7-bromo-4H-1,4-benzoxazin-3-one |
IUPAC Name: | 7-bromo-4H-1,4-benzoxazin-3-one |
Description: | 7-Bromo-2H-benzo[b][1,4]oxazin-3(4H)-one (CAS# 321436-06-0) is a useful research chemical. |
Molecular Weight: | 228.04 |
Molecular Formula: | C8H6BrNO2 |
Canonical SMILES: | C1C(=O)NC2=C(O1)C=C(C=C2)Br |
InChI: | InChI=1S/C8H6BrNO2/c9-5-1-2-6-7(3-5)12-4-8(11)10-6/h1-3H,4H2,(H,10,11) |
InChI Key: | ZAXUQDMKVBOVCR-UHFFFAOYSA-N |
Boiling Point: | 381.471 °C at 760 mmHg |
Density: | 1.677 g/cm3 |
LogP: | 1.91800 |
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-112300211-A | Compound as thyroid hormone beta receptor agonist and application thereof | 20190726 |
WO-2020259668-A1 | Tricyclic compound, preparation method therefor and use thereof | 20190628 |
EP-3786166-A1 | 2-aminopyrimidine derivative, preparation method and use thereof | 20180426 |
WO-2019209948-A1 | Compounds and uses thereof | 20180425 |
WO-2019209948-A9 | Compounds and uses thereof | 20180425 |
Complexity: | 198 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 226.95819 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 226.95819 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 38.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.6 |
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