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Home > Fluorides > 855996-66-6
855996-66-6 | 7-Fluorobenzo[d]isoxazol-3(2H)-one
CAS No: 855996-66-6 Catalog No: AG004U5C MDL No:MFCD18378853
Product Description
Catalog Number:
AG004U5C
Chemical Name:
7-Fluorobenzo[d]isoxazol-3(2H)-one
CAS Number:
855996-66-6
Molecular Formula:
C7H4FNO2
Molecular Weight:
153.1106
MDL Number:
MFCD18378853
IUPAC Name:
7-fluoro-1,2-benzoxazol-3-one
InChI:
InChI=1S/C7H4FNO2/c8-5-3-1-2-4-6(5)11-9-7(4)10/h1-3H,(H,9,10)
InChI Key:
HHJCSHZCHBARDP-UHFFFAOYSA-N
SMILES:
Fc1cccc2c1o[nH]c2=O
Properties
Complexity:
185
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
153.023g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
153.112g/mol
Monoisotopic Mass:
153.023g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
Literature
| Title | Journal |
|---|---|
| Synthesis and biological evaluation of D-amino acid oxidase inhibitors. | Journal of medicinal chemistry 20080626 |
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