4-Bromo-2-methylpyrazole-3-carbaldehyde - CAS 473528-88-0
Catalog: |
BB026264 |
Product Name: |
4-Bromo-2-methylpyrazole-3-carbaldehyde |
CAS: |
473528-88-0 |
Synonyms: |
4-bromo-2-methyl-3-pyrazolecarboxaldehyde; 4-bromo-2-methylpyrazole-3-carbaldehyde |
IUPAC Name: | 4-bromo-2-methylpyrazole-3-carbaldehyde |
Description: | 4-Bromo-2-methylpyrazole-3-carbaldehyde (CAS# 473528-88-0) is a useful research chemical. |
Molecular Weight: | 189.01 |
Molecular Formula: | C5H5BrN2O |
Canonical SMILES: | CN1C(=C(C=N1)Br)C=O |
InChI: | InChI=1S/C5H5BrN2O/c1-8-5(3-9)4(6)2-7-8/h2-3H,1H3 |
InChI Key: | GXAHYXQWHWDEDY-UHFFFAOYSA-N |
Boiling Point: | 275.2 °C at 760 mmHg |
Density: | 1.73 g/cm3 |
Appearance: | White to yellow crystalline powder |
MDL: | MFCD03074341 |
LogP: | 0.99510 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021208918-A1 | Tricyclic compounds as egfr inhibitors | 20200414 |
US-2021078994-A1 | MTA-Cooperative PRMT5 Inhibitors | 20190912 |
US-2021079003-A1 | MTA-Cooperative PRMT5 Inhibitors | 20190912 |
WO-2021050915-A1 | Mta-cooperative prmt5 inhibitors | 20190912 |
CN-111434655-A | Lysophosphatidic acid receptor antagonists and process for their preparation | 20190115 |
Complexity: | 120 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 187.95853 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 187.95853 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 34.9 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.7 |
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