4-(1H-Pyrazol-5-yl)benzoic acid - CAS 208511-67-5
Catalog: |
BB016350 |
Product Name: |
4-(1H-Pyrazol-5-yl)benzoic acid |
CAS: |
208511-67-5 |
Synonyms: |
4-(1H-pyrazol-5-yl)benzoic acid |
IUPAC Name: | 4-(1H-pyrazol-5-yl)benzoic acid |
Description: | 4-(1H-Pyrazol-5-yl)benzoic acid (CAS# 208511-67-5) is a useful research chemical. |
Molecular Weight: | 188.18 |
Molecular Formula: | C10H8N2O2 |
Canonical SMILES: | C1=CC(=CC=C1C2=CC=NN2)C(=O)O |
InChI: | InChI=1S/C10H8N2O2/c13-10(14)8-3-1-7(2-4-8)9-5-6-11-12-9/h1-6H,(H,11,12)(H,13,14) |
InChI Key: | RFJWCCHRWJSWGI-UHFFFAOYSA-N |
Boiling Point: | 469.6 ℃ at 760 mmHg |
Purity: | 95 % |
Density: | 1.355 g/cm3 |
MDL: | MFCD08059895 |
LogP: | 1.77490 |
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 |
US-2020102303-A1 | Monoacylglycerol Lipase Modulators | 20180928 |
WO-2020065613-A1 | Monoacylglycerol lipase modulators | 20180928 |
TW-202028198-A | Monoacylglycerol lipase modulators | 20180928 |
CN-113164459-A | Monoacylglycerol lipase modulators | 20180928 |
EP-3856178-A1 | Monoacylglycerol lipase modulators | 20180928 |
Complexity: | 212 |
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: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 188.058577502 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 66 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.4 |
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Pyrazoles
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