2-(1H-Pyrazol-1-yl)benzaldehyde - CAS 138479-47-7
Catalog: |
BB008762 |
Product Name: |
2-(1H-Pyrazol-1-yl)benzaldehyde |
CAS: |
138479-47-7 |
Synonyms: |
2-(1-pyrazolyl)benzaldehyde; 2-pyrazol-1-ylbenzaldehyde |
IUPAC Name: | 2-pyrazol-1-ylbenzaldehyde |
Description: | 2-(1H-Pyrazol-1-yl)benzaldehyde (CAS# 138479-47-7) is a useful research chemical. |
Molecular Weight: | 172.18 |
Molecular Formula: | C10H8N2O |
Canonical SMILES: | C1=CC=C(C(=C1)C=O)N2C=CC=N2 |
InChI: | InChI=1S/C10H8N2O/c13-8-9-4-1-2-5-10(9)12-7-3-6-11-12/h1-8H |
InChI Key: | KIGZYDJKBTYFBZ-UHFFFAOYSA-N |
Boiling Point: | 316.5 ℃ at 760 mmHg |
Density: | 1.15 g/cm3 |
Solubility: | 23.1 [ug/mL] (The mean of the results at pH 7.4) |
Appearance: | Solid |
Storage: | Inert atmosphere, 2-8 ℃ |
MDL: | MFCD03086186 |
LogP: | 1.68480 |
Publication Number | Title | Priority Date |
WO-2021078132-A1 | Inhibitors of mtor-mediated induction of autophagy | 20191021 |
US-2019322671-A1 | Cxcr4 inhibitors and uses thereof | 20160621 |
AU-2017207003-A1 | Novel phosphinane and azaphosphinane derivatives, method for preparing same and pharmaceutical compositions containing same | 20160114 |
AU-2017207003-A2 | Novel phosphinane and azaphosphinane derivatives, method for preparing same and pharmaceutical compositions containing same | 20160114 |
DK-3271368-T3 | NEW PHOSPHINAN AND AZAPHOSPHINAN DERIVATIVES, PROCEDURE FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THESE | 20160114 |
Complexity: | 184 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 172.063662883 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 172.063662883 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 34.9 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.4 |
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