3-Amino-5-bromobenzo[d]isoxazole - CAS 455280-00-9
Catalog: |
BB025917 |
Product Name: |
3-Amino-5-bromobenzo[d]isoxazole |
CAS: |
455280-00-9 |
Synonyms: |
5-bromo-1,2-benzoxazol-3-amine; 5-bromo-1,2-benzoxazol-3-amine |
IUPAC Name: | 5-bromo-1,2-benzoxazol-3-amine |
Description: | 3-Amino-5-bromobenzo[d]isoxazole (CAS# 455280-00-9) is a useful research chemical. |
Molecular Weight: | 213.03 |
Molecular Formula: | C7H5BrN2O |
Canonical SMILES: | C1=CC2=C(C=C1Br)C(=NO2)N |
InChI: | InChI=1S/C7H5BrN2O/c8-4-1-2-6-5(3-4)7(9)10-11-6/h1-3H,(H2,9,10) |
InChI Key: | BGMYWBQEKIMHGU-UHFFFAOYSA-N |
Boiling Point: | 371.1 °C at 760 mmHg |
Density: | 1.804 g/cm3 |
MDL: | MFCD09834823 |
LogP: | 2.75370 |
Publication Number | Title | Priority Date |
US-2020039945-A1 | Compounds | 20180620 |
WO-2019243491-A1 | Compounds | 20180620 |
TW-202016103-A | Chemical compound | 20180620 |
KR-20210022655-A | compound | 20180620 |
US-2020157088-A1 | Benzene fused heterocyclic compound and use thereof | 20171201 |
Complexity: | 155 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 211.95853 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 211.95853 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 52 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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