5-Bromo-2-benzoxazolinone - CAS 14733-73-4
Catalog: |
BB010184 |
Product Name: |
5-Bromo-2-benzoxazolinone |
CAS: |
14733-73-4 |
Synonyms: |
5-bromo-3H-1,3-benzoxazol-2-one |
IUPAC Name: | 5-bromo-3H-1,3-benzoxazol-2-one |
Description: | 5-Bromo-2-benzoxazolinone (CAS# 14733-73-4) is a useful research chemical. |
Molecular Weight: | 214.02 |
Molecular Formula: | C7H4BrNO2 |
Canonical SMILES: | C1=CC2=C(C=C1Br)NC(=O)O2 |
InChI: | InChI=1S/C7H4BrNO2/c8-4-1-2-6-5(3-4)9-7(10)11-6/h1-3H,(H,9,10) |
InChI Key: | DMHTZWJRUUOALC-UHFFFAOYSA-N |
Solubility: | Other solvents(Soluble) : Pyridine |
Appearance: | White to yellow powder |
MDL: | MFCD01664246 |
LogP: | 1.88360 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P280, P301+P312, P305+P351+P338, P330, P337+P313, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021008512-A1 | Compound as nmt inhibitor and use thereof | 20190718 |
CN-110878055-A | Method for preparing carbonyl heterocyclic compound | 20180906 |
CN-110878055-B | Method for preparing carbonyl heterocyclic compound | 20180906 |
AU-2018389145-A1 | Exo-aza spiro inhibitors of menin-MLL interaction | 20171220 |
CA-3083624-A1 | Exo-aza spiro inhibitors of menin-mll interaction | 20171220 |
Complexity: | 185 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 212.94254 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 212.94254 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 38.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.9 |
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