5-(5-Chloro-2-hydroxy-4-methylphenyl)-1-phenylpyrazole - CAS 213690-56-3
Catalog: |
BB016791 |
Product Name: |
5-(5-Chloro-2-hydroxy-4-methylphenyl)-1-phenylpyrazole |
CAS: |
213690-56-3 |
Synonyms: |
4-chloro-5-methyl-2-(2-phenylpyrazol-3-yl)phenol |
IUPAC Name: | 4-chloro-5-methyl-2-(2-phenylpyrazol-3-yl)phenol |
Description: | 5-(5-Chloro-2-hydroxy-4-methylphenyl)-1-phenylpyrazole (CAS# 213690-56-3 ) is a useful research chemical. |
Molecular Weight: | 284.74 |
Molecular Formula: | C16H13ClN2O |
Canonical SMILES: | CC1=C(C=C(C(=C1)O)C2=CC=NN2C3=CC=CC=C3)Cl |
InChI: | InChI=1S/C16H13ClN2O/c1-11-9-16(20)13(10-14(11)17)15-7-8-18-19(15)12-5-3-2-4-6-12/h2-10,20H,1H3 |
InChI Key: | MMOWXHKNQZKRGK-UHFFFAOYSA-N |
Melting Point: | 202-206 °C(lit.) |
Purity: | 95 % |
LogP: | 4.20670 |
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 |
AU-2007301838-A1 | New derivatives of 5-thioxilopyranose | 20060927 |
AU-2007301838-B2 | New derivatives of 5-thioxilopyranose | 20060927 |
CA-2665908-A1 | New derivatives of 5-thioxilopyranose | 20060927 |
EA-016044-B1 | DERIVATIVES OF 5-THYOXYL-PYRANOSE | 20060927 |
FR-2906247-A1 | NEW 5-THIOXYLOPYRANOSE DERIVATIVES | 20060927 |
Complexity: | 322 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 284.0716407 |
Formal Charge: | 0 |
Heavy Atom Count: | 20 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 284.0716407 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 38 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.2 |
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