6-Bromo-1H-benzo[d][1,3]oxazin-2(4H)-one - CAS 1017783-09-3
Catalog: |
BB000657 |
Product Name: |
6-Bromo-1H-benzo[d][1,3]oxazin-2(4H)-one |
CAS: |
1017783-09-3 |
Synonyms: |
6-bromo-1,4-dihydro-3,1-benzoxazin-2-one; 6-bromo-1,4-dihydro-3,1-benzoxazin-2-one |
IUPAC Name: | 6-bromo-1,4-dihydro-3,1-benzoxazin-2-one |
Description: | 6-Bromo-1H-benzo[d][1,3]oxazin-2(4H)-one (CAS# 1017783-09-3) is a useful research chemical. |
Molecular Weight: | 228.04 |
Molecular Formula: | C8H6BrNO2 |
Canonical SMILES: | C1C2=C(C=CC(=C2)Br)NC(=O)O1 |
InChI: | InChI=1S/C8H6BrNO2/c9-6-1-2-7-5(3-6)4-12-8(11)10-7/h1-3H,4H2,(H,10,11) |
InChI Key: | SSTOTANBGDRSRF-UHFFFAOYSA-N |
Boiling Point: | 260.1 °C at 760 mmHg |
Density: | 1.676 g/cm3 |
Storage: | Sealed in dry, Room Temperature |
MDL: | MFCD09972273 |
LogP: | 2.64920 |
Publication Number | Title | Priority Date |
CN-112300211-A | Compound as thyroid hormone beta receptor agonist and application thereof | 20190726 |
WO-2018017490-A1 | Carbamate quinabactin | 20160718 |
AU-2017294391-A1 | Plant growth regulator compounds | 20160705 |
CA-3029850-A1 | Plant growth regulator compounds | 20160705 |
EP-3481202-A1 | Plant growth regulator compounds | 20160705 |
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 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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