5-Fluoro-2-(1H-pyrazol-1-yl)benzaldehyde - CAS 1015845-84-7
Catalog: |
BB000552 |
Product Name: |
5-Fluoro-2-(1H-pyrazol-1-yl)benzaldehyde |
CAS: |
1015845-84-7 |
Synonyms: |
5-fluoro-2-pyrazol-1-ylbenzaldehyde |
IUPAC Name: | 5-fluoro-2-pyrazol-1-ylbenzaldehyde |
Description: | 5-Fluoro-2-(1H-pyrazol-1-yl)benzaldehyde (CAS# 1015845-84-7) is a useful research chemical. |
Molecular Weight: | 190.17 |
Molecular Formula: | C10H7FN2O |
Canonical SMILES: | C1=CN(N=C1)C2=C(C=C(C=C2)F)C=O |
InChI: | InChI=1S/C10H7FN2O/c11-9-2-3-10(8(6-9)7-14)13-5-1-4-12-13/h1-7H |
InChI Key: | CCXPRNAFNCMOAY-UHFFFAOYSA-N |
Purity: | 95 % |
Appearance: | Solid |
LogP: | 1.82390 |
Publication Number | Title | Priority Date |
US-10131653-B2 | Heterocyclic compound | 20150424 |
US-2018155333-A1 | Heterocyclic Compound | 20150424 |
EP-3287454-B1 | Heterocyclic compound | 20150424 |
Complexity: | 212 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 190.05424101 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 190.05424101 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 34.9 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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