5-chloro-6-fluoro-1H-1,3-benzodiazole-2-carbaldehyde - CAS 1263378-80-8
Catalog: |
BB006578 |
Product Name: |
5-chloro-6-fluoro-1H-1,3-benzodiazole-2-carbaldehyde |
CAS: |
1263378-80-8 |
Synonyms: |
5-chloro-6-fluoro-1H-benzimidazole-2-carboxaldehyde; 5-chloro-6-fluoro-1H-benzimidazole-2-carbaldehyde |
IUPAC Name: | 5-chloro-6-fluoro-1H-benzimidazole-2-carbaldehyde |
Description: | 5-chloro-6-fluoro-1H-1,3-benzodiazole-2-carbaldehyde (CAS# 1263378-80-8 ) is a useful research chemical. |
Molecular Weight: | 198.581 |
Molecular Formula: | C8H4ClFN2O |
Canonical SMILES: | C1=C2C(=CC(=C1F)Cl)N=C(N2)C=O |
InChI: | InChI=1S/C8H4ClFN2O/c9-4-1-6-7(2-5(4)10)12-8(3-13)11-6/h1-3H,(H,11,12) |
InChI Key: | NTZMQVVYFSEPMU-UHFFFAOYSA-N |
Publication Number | Title | Priority Date |
WO-2021176049-A1 | Pyrazolopyrazines acting on cancers via inhibition of cdk12 | 20200306 |
EP-2558577-A1 | Bi-functional complexes and methods for making and using such complexes | 20100416 |
US-2013281324-A1 | Bi-functinal complexes and methods for making and using such complexes | 20100416 |
WO-2011127933-A1 | Bi-functional complexes and methods for making and using such complexes | 20100416 |
Complexity: | 216 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 197.9996186 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 197.9996186 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 45.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
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Benzimidazoles
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