4-Bromo-1-methyl-1H-pyrazole-3-carboxylic acid - CAS 84547-86-4
Catalog: |
BB037233 |
Product Name: |
4-Bromo-1-methyl-1H-pyrazole-3-carboxylic acid |
CAS: |
84547-86-4 |
Synonyms: |
4-bromo-1-methyl-3-pyrazolecarboxylic acid; 4-bromo-1-methylpyrazole-3-carboxylic acid |
IUPAC Name: | 4-bromo-1-methylpyrazole-3-carboxylic acid |
Description: | 4-Bromo-1-methyl-1H-pyrazole-3-carboxylic acid (CAS# 84547-86-4) is a useful research chemical. |
Molecular Weight: | 205.01 |
Molecular Formula: | C5H5BrN2O2 |
Canonical SMILES: | CN1C=C(C(=N1)C(=O)O)Br |
InChI: | InChI=1S/C5H5BrN2O2/c1-8-2-3(6)4(7-8)5(9)10/h2H,1H3,(H,9,10) |
InChI Key: | LEEPGDCCHVRYHK-UHFFFAOYSA-N |
Boiling Point: | 347.4 °C at 760 mmHg |
Melting Point: | 211-213 °C |
Purity: | 95 % |
Density: | 1.93 g/cm3 |
Appearance: | Solid |
MDL: | MFCD00463988 |
LogP: | 0.88080 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
EP-3464270-A2 | Heterocyclic inhibitors of cbp/ep300 and their use in the treatment of cancer | 20160524 |
JP-2019516757-A | Heterocyclic inhibitors of CBP / EP 300 and their use in the treatment of cancer | 20160524 |
US-10696655-B2 | Therapeutic compounds and uses thereof | 20160524 |
US-2019152949-A1 | Therapeutic compounds and uses thereof | 20160524 |
WO-2017205536-A2 | Therapeutic compounds and uses thereof | 20160524 |
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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