5-Bromo-1H-benzo[d][1,3]oxazin-2(4H)-one - CAS 861106-93-6
Catalog: |
BB037829 |
Product Name: |
5-Bromo-1H-benzo[d][1,3]oxazin-2(4H)-one |
CAS: |
861106-93-6 |
Synonyms: |
5-bromo-1,4-dihydro-3,1-benzoxazin-2-one; 5-bromo-1,4-dihydro-3,1-benzoxazin-2-one |
IUPAC Name: | 5-bromo-1,4-dihydro-3,1-benzoxazin-2-one |
Description: | 5-Bromo-1H-benzo[d][1,3]oxazin-2(4H)-one (CAS# 861106-93-6 ) is a useful research chemical. |
Molecular Weight: | 228.04 |
Molecular Formula: | C8H6BrNO2 |
Canonical SMILES: | C1C2=C(C=CC=C2Br)NC(=O)O1 |
InChI: | InChI=1S/C8H6BrNO2/c9-6-2-1-3-7-5(6)4-12-8(11)10-7/h1-3H,4H2,(H,10,11) |
InChI Key: | XZVJGIWTWBRGBL-UHFFFAOYSA-N |
LogP: | 2.64920 |
Publication Number | Title | Priority Date |
AU-2015328285-B2 | Heteroaryl compounds as BTK inhibitors and uses thereof | 20141006 |
CA-2960401-A1 | Heteroaryl compounds as btk inhibitors and uses thereof | 20141006 |
EP-3204382-A1 | Heteroaryl compounds as btk inhibitors and uses thereof | 20141006 |
JP-2017533897-A | Heteroaryl compounds and their use as BTK inhibitors | 20141006 |
US-10253023-B2 | Heteroaryl compounds as BTK inhibitors and uses thereof | 20141006 |
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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