3-Bromoquinoxaline-2-carbaldehyde - CAS 67570-53-0
Catalog: |
BB033333 |
Product Name: |
3-Bromoquinoxaline-2-carbaldehyde |
CAS: |
67570-53-0 |
Synonyms: |
3-bromo-2-quinoxalinecarboxaldehyde; 3-bromoquinoxaline-2-carbaldehyde |
IUPAC Name: | 3-bromoquinoxaline-2-carbaldehyde |
Description: | 3-Bromoquinoxaline-2-carbaldehyde (CAS# 67570-53-0 ) is a useful research chemical. |
Molecular Weight: | 237.05 |
Molecular Formula: | C9H5BrN2O |
Canonical SMILES: | C1=CC=C2C(=C1)N=C(C(=N2)Br)C=O |
InChI: | InChI=1S/C9H5BrN2O/c10-9-8(5-13)11-6-3-1-2-4-7(6)12-9/h1-5H |
InChI Key: | OBMPSZQDMGESNY-UHFFFAOYSA-N |
LogP: | 2.20480 |
Publication Number | Title | Priority Date |
WO-2021018869-A1 | 1,2,4-oxadiazol-5-one derivatives for the treatment of cancer | 20190729 |
EP-3619205-A1 | Inhibitors of human immunodeficiency virus replication | 20170502 |
WO-2018203235-A1 | Inhibitors of human immunodeficiency virus replication | 20170502 |
JP-2020518601-A | Inhibitors of human immunodeficiency virus replication | 20170502 |
US-10954252-B1 | Inhibitors of human immunodeficiency virus replication | 20170502 |
Complexity: | 200 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 235.95853 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 235.95853 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 42.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
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