Phenol, 4-bromo-2-(1H-pyrazol-3-yl)-


Chemical Name: Phenol, 4-bromo-2-(1H-pyrazol-3-yl)-
CAS Number: 99067-15-9
Product Number: AG003KV5(AGN-PC-0OP1V3)
Synonyms:
MDL No:
Molecular Formula: C9H7BrN2O
Molecular Weight: 239.0687

Identification/Properties


Properties
MP:
159-163℃ (lit.)
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
239.072g/mol
XLogP3:
2.2
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
1
Exact Mass:
237.974g/mol
Monoisotopic Mass:
237.974g/mol
Topological Polar Surface Area:
48.9A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
179
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
-
Hazard Statements:
H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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