Benzoxazole, 5-chloro-2-methyl-6-nitro-


Chemical Name: Benzoxazole, 5-chloro-2-methyl-6-nitro-
CAS Number: 13452-16-9
Product Number: AG009D8B(AGN-PC-0KKQ8W)
Synonyms:
MDL No:
Molecular Formula: C8H5ClN2O3
Molecular Weight: 212.5899

Identification/Properties


Computed Properties
Molecular Weight:
212.589g/mol
XLogP3:
2.6
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
0
Exact Mass:
211.999g/mol
Monoisotopic Mass:
211.999g/mol
Topological Polar Surface Area:
71.8A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
245
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


Other Analytical Data


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