4-Bromo-1-methylpyrazole-5-carboxylic Acid - CAS 84547-84-2
Catalog: |
BB037231 |
Product Name: |
4-Bromo-1-methylpyrazole-5-carboxylic Acid |
CAS: |
84547-84-2 |
Synonyms: |
4-bromo-2-methyl-3-pyrazolecarboxylic acid; 4-bromo-2-methylpyrazole-3-carboxylic acid |
IUPAC Name: | 4-bromo-2-methylpyrazole-3-carboxylic acid |
Description: | 4-Bromo-1-methylpyrazole-5-carboxylic Acid (CAS# 84547-84-2) is a useful research chemical. |
Molecular Weight: | 205.01 |
Molecular Formula: | C5H5BrN2O2 |
Canonical SMILES: | CN1C(=C(C=N1)Br)C(=O)O |
InChI: | InChI=1S/C5H5BrN2O2/c1-8-4(5(9)10)3(6)2-7-8/h2H,1H3,(H,9,10) |
InChI Key: | YXIJCAVZGBGUKM-UHFFFAOYSA-N |
Boiling Point: | 347.4 °C at 760 mmHg |
Density: | 1.93 g/cm3 |
LogP: | 0.88080 |
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-2020060914-A1 | Oxabicyclo acids as lpa antagonists | 20180918 |
WO-2020060915-A1 | Cyclopentyl acids as lpa antagonists | 20180918 |
CN-113366000-A | Oxabicyclic acids as LPA antagonists | 20180918 |
CN-113473985-A | Cyclopentanoic acid as LPA antagonist | 20180918 |
EP-3852746-A1 | Cyclopentyl acids as lpa antagonists | 20180918 |
Complexity: | 153 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 203.95344 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 203.95344 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 55.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.8 |
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