7-Bromobenzoxazol-2(3H)-one - CAS 871367-14-5
Catalog: |
BB038300 |
Product Name: |
7-Bromobenzoxazol-2(3H)-one |
CAS: |
871367-14-5 |
Synonyms: |
7-bromo-3H-1,3-benzoxazol-2-one; 7-bromo-3H-1,3-benzoxazol-2-one |
IUPAC Name: | 7-bromo-3H-1,3-benzoxazol-2-one |
Description: | 7-Bromobenzoxazol-2(3H)-one (CAS# 871367-14-5) is a useful research chemical. |
Molecular Weight: | 214.02 |
Molecular Formula: | C7H4BrNO2 |
Canonical SMILES: | C1=CC2=C(C(=C1)Br)OC(=O)N2 |
InChI: | InChI=1S/C7H4BrNO2/c8-4-2-1-3-5-6(4)11-7(10)9-5/h1-3H,(H,9,10) |
InChI Key: | LHTQHBZJSVUNBG-UHFFFAOYSA-N |
Density: | 1.809 g/cm3 |
LogP: | 2.29590 |
Publication Number | Title | Priority Date |
CN-112574136-A | Structure, preparation method and application of a series of benzoxazolone derivatives | 20201208 |
WO-2021055627-A1 | Substituted n-heterocyclic carboxamides as acid ceramidase inhibitors and their use as medicaments | 20190917 |
US-2020031801-A1 | Therapeutic heterocyclic compounds | 20180706 |
WO-2020010200-A1 | Therapeutic heterocyclic compounds | 20180706 |
AU-2019297362-A1 | Therapeutic heterocyclic compounds | 20180706 |
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 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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