7-amino-5-chloro-3H-1,3-benzoxazol-2-one


Chemical Name: 7-amino-5-chloro-3H-1,3-benzoxazol-2-one
CAS Number: 889884-60-0
Product Number: AG0088YE(AGN-PC-05J25P)
Synonyms:
MDL No:
Molecular Formula: C7H5ClN2O2
Molecular Weight: 184.5798

Identification/Properties


Computed Properties
Molecular Weight:
184.579g/mol
XLogP3:
1.1
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
0
Exact Mass:
184.004g/mol
Monoisotopic Mass:
184.004g/mol
Topological Polar Surface Area:
64.4A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
212
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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