Phenol, 4-chloro-2-(5-isoxazolyl)-


Chemical Name: Phenol, 4-chloro-2-(5-isoxazolyl)-
CAS Number: 86176-56-9
Product Number: AG003L27(AGN-PC-0OK5KI)
Synonyms:
MDL No:
Molecular Formula: C9H6ClNO2
Molecular Weight: 195.6024

Identification/Properties


Computed Properties
Molecular Weight:
195.602g/mol
XLogP3:
2.3
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
1
Exact Mass:
195.009g/mol
Monoisotopic Mass:
195.009g/mol
Topological Polar Surface Area:
46.3A^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

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NMR Spectrum


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