8-Bromo-2H-1,4-benzoxazin-3(4H)-one - CAS 688363-48-6
Catalog: |
BB033641 |
Product Name: |
8-Bromo-2H-1,4-benzoxazin-3(4H)-one |
CAS: |
688363-48-6 |
Synonyms: |
8-bromo-4H-1,4-benzoxazin-3-one; 8-bromo-4H-1,4-benzoxazin-3-one |
IUPAC Name: | 8-bromo-4H-1,4-benzoxazin-3-one |
Description: | 8-Bromo-2H-1,4-benzoxazin-3(4H)-one (CAS# 688363-48-6) is a useful research chemical. |
Molecular Weight: | 228.04 |
Molecular Formula: | C8H6BrNO2 |
Canonical SMILES: | C1C(=O)NC2=C(O1)C(=CC=C2)Br |
InChI: | InChI=1S/C8H6BrNO2/c9-5-2-1-3-6-8(5)12-4-7(11)10-6/h1-3H,4H2,(H,10,11) |
InChI Key: | FVGSWEPMUVKUDX-UHFFFAOYSA-N |
LogP: | 1.86510 |
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 |
WO-2020243459-A1 | Thiadiazolyl derivatives as dna polymerase theta inhibitors | 20190531 |
US-10696655-B2 | Therapeutic compounds and uses thereof | 20160524 |
US-2019152949-A1 | Therapeutic compounds and uses thereof | 20160524 |
US-2020399244-A1 | Therapeutic compounds and uses thereof | 20160524 |
EP-3416960-A1 | Novel compounds | 20160218 |
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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