4-(3,5-Dimethyl-4-pyrazolyl)benzoic Acid - CAS 185252-69-1
Catalog: |
BB014211 |
Product Name: |
4-(3,5-Dimethyl-4-pyrazolyl)benzoic Acid |
CAS: |
185252-69-1 |
Synonyms: |
4-(3,5-dimethyl-1H-pyrazol-4-yl)benzoic acid; 4-(3,5-dimethyl-1H-pyrazol-4-yl)benzoic acid |
IUPAC Name: | 4-(3,5-dimethyl-1H-pyrazol-4-yl)benzoic acid |
Description: | 4-(3,5-Dimethyl-4-pyrazolyl)benzoic Acid (CAS# 185252-69-1 ) is a useful research chemical. |
Molecular Weight: | 216.24 |
Molecular Formula: | C12H12N2O2 |
Canonical SMILES: | CC1=C(C(=NN1)C)C2=CC=C(C=C2)C(=O)O |
InChI: | InChI=1S/C12H12N2O2/c1-7-11(8(2)14-13-7)9-3-5-10(6-4-9)12(15)16/h3-6H,1-2H3,(H,13,14)(H,15,16) |
InChI Key: | JYRIFOAFECWGHB-UHFFFAOYSA-N |
LogP: | 2.39170 |
Publication Number | Title | Priority Date |
WO-2021174310-A1 | Metal organic frameworks | 20200306 |
WO-2021002982-A1 | Metal-organic framework materials comprising a pyrazolylbenzoate ligand and methods for production thereof | 20190703 |
WO-2020210868-A1 | Metal organic frameworks and methods of preparation thereof | 20190415 |
US-2021162369-A1 | Method for preparing, in situ, metal-organic framework by using control of diffusion within ionic polymer | 20180102 |
EP-3523292-A1 | Heteroaryl compounds and their use as mer inhibitors | 20161010 |
Complexity: | 262 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 216.08987763 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 216.08987763 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 66 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
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