1-(4-Fluorophenyl)-1H-pyrazole-4-carbaldehyde - CAS 890652-03-6
Catalog: |
BB039336 |
Product Name: |
1-(4-Fluorophenyl)-1H-pyrazole-4-carbaldehyde |
CAS: |
890652-03-6 |
Synonyms: |
1-(4-fluorophenyl)pyrazole-4-carbaldehyde |
IUPAC Name: | 1-(4-fluorophenyl)pyrazole-4-carbaldehyde |
Description: | 1-(4-Fluorophenyl)-1H-pyrazole-4-carbaldehyde (CAS# 890652-03-6) is a useful research chemical. |
Molecular Weight: | 190.17 |
Molecular Formula: | C10H7FN2O |
Canonical SMILES: | C1=CC(=CC=C1N2C=C(C=N2)C=O)F |
InChI: | InChI=1S/C10H7FN2O/c11-9-1-3-10(4-2-9)13-6-8(7-14)5-12-13/h1-7H |
InChI Key: | OTZFOHVFXOKYGB-UHFFFAOYSA-N |
Boiling Point: | 306.5 °C at 760 mmHg |
Purity: | 95 % |
Density: | 1.24 g/cm3 |
Appearance: | Powder |
MDL: | MFCD05864516 |
LogP: | 1.82390 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2019235879-A1 | Composition for preventing or treating cancer, containing novel mtor inhibitor | 20180608 |
KR-20190124666-A | Novel compounds as mTOR inhibitor and uses thereof | 20180426 |
WO-2019209083-A1 | Novel compound as mtor inhibitor and use thereof | 20180426 |
CN-112368279-A | Novel compounds as mTOR inhibitors and uses thereof | 20180426 |
EP-3786163-A1 | Novel compound as mtor inhibitor and use thereof | 20180426 |
Complexity: | 204 |
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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