1,3-Diphenyl-1H-pyrazol-5-ol - CAS 114138-49-7
Catalog: |
BB050488 |
Product Name: |
1,3-Diphenyl-1H-pyrazol-5-ol |
CAS: |
114138-49-7 |
Synonyms: |
2,5-Diphenyl-2H-pyrazol-3-ol; 1,3-Diphenyl-5-pyrazolone; 2,5-diphenyl-1,2-dihydro-3H-pyrazol-3-one |
IUPAC Name: | 2,5-diphenyl-1H-pyrazol-3-one |
Description: | 1,3-Diphenyl-1H-pyrazol-5-ol (CAS# 114138-49-7 ) is a useful research chemical. |
Molecular Weight: | 236.27 |
Molecular Formula: | C15H12N2O |
Canonical SMILES: | C1=CC=C(C=C1)C2=CC(=O)N(N2)C3=CC=CC=C3 |
InChI: | InChI=1S/C15H12N2O/c18-15-11-14(12-7-3-1-4-8-12)16-17(15)13-9-5-2-6-10-13/h1-11,16H |
InChI Key: | XUGMZXWEBJJQID-UHFFFAOYSA-N |
Boiling Point: | 445.3±33.0 °C at 760 mmHg |
Purity: | 95 % |
Density: | 1.2±0.1 g/cm3 |
Appearance: | Solid |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P301+P317, P330, and P501 |
Signal Word: | Warning |
Complexity: | 338 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 236.094963011 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 236.094963011 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 32.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.1 |
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