5-(5-Bromo-2-hydroxyphenyl)-1-phenylpyrazole acetate - CAS 480438-37-7
Catalog: |
BB026464 |
Product Name: |
5-(5-Bromo-2-hydroxyphenyl)-1-phenylpyrazole acetate |
CAS: |
480438-37-7 |
Synonyms: |
acetic acid;4-bromo-2-(2-phenylpyrazol-3-yl)phenol |
IUPAC Name: | acetic acid;4-bromo-2-(2-phenylpyrazol-3-yl)phenol |
Description: | 5-(5-Bromo-2-hydroxyphenyl)-1-phenylpyrazole acetate (CAS# 480438-37-7 ) is a useful research chemical. |
Molecular Weight: | 375.22 |
Molecular Formula: | C15H11BrN2O · CH3CO2H |
Canonical SMILES: | CC(=O)O.C1=CC=C(C=C1)N2C(=CC=N2)C3=C(C=CC(=C3)Br)O |
InChI: | InChI=1S/C15H11BrN2O.C2H4O2/c16-11-6-7-15(19)13(10-11)14-8-9-17-18(14)12-4-2-1-3-5-12;1-2(3)4/h1-10,19H;1H3,(H,3,4) |
InChI Key: | WOBIPXUOYNUEGO-UHFFFAOYSA-N |
LogP: | 4.09830 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 327 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 374.0266 |
Formal Charge: | 0 |
Heavy Atom Count: | 23 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 374.0266 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 75.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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