2-(1-Pyrazolyl)benzoic Acid - CAS 55317-53-8
Catalog: |
BB029000 |
Product Name: |
2-(1-Pyrazolyl)benzoic Acid |
CAS: |
55317-53-8 |
Synonyms: |
2-(1-pyrazolyl)benzoic acid; 2-pyrazol-1-ylbenzoic acid |
IUPAC Name: | 2-pyrazol-1-ylbenzoic acid |
Description: | 2-(1-Pyrazolyl)benzoic Acid (CAS# 55317-53-8) is a useful research chemical. |
Molecular Weight: | 188.18 |
Molecular Formula: | C10H8N2O2 |
Canonical SMILES: | C1=CC=C(C(=C1)C(=O)O)N2C=CC=N2 |
InChI: | InChI=1S/C10H8N2O2/c13-10(14)8-4-1-2-5-9(8)12-7-3-6-11-12/h1-7H,(H,13,14) |
InChI Key: | MHACZVWKWUMHRR-UHFFFAOYSA-N |
Boiling Point: | 365.1 °C at 760 mmHg |
Density: | 1.28 g/cm3 |
LogP: | 1.57050 |
GHS Hazard Statement: | H302 (50%): 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 |
WO-2020132269-A1 | Substituted pyrazolopyrimidines and substituted purines and their use as ubiquitin-specific-processing protease 1 (usp1) inhibitors | 20181220 |
WO-2020123855-A1 | Inhibitor compounds for male contraception | 20181212 |
WO-2020035065-A1 | Pyrazole derivative as ret inhibitor | 20180817 |
EP-3731869-A1 | Irak degraders and uses thereof | 20171226 |
TW-201925413-A | Chemical mechanical polishing composition | 20171122 |
PMID | Publication Date | Title | Journal |
22458369 | 20120420 | Synthesis of 4-substituted chlorophthalazines, dihydrobenzoazepinediones, 2-pyrazolylbenzoic acid, and 2-pyrazolylbenzohydrazide via 3-substituted 3-hydroxyisoindolin-1-ones | The Journal of organic chemistry |
Complexity: | 220 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 188.058577502 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 188.058577502 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 55.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.4 |
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