Home Other Building Blocks 4-Fluoro-benzo[d]isoxazol-3-ol

4-Fluoro-benzo[d]isoxazol-3-ol

CAS No.:
178747-83-6
Catalog Number:
AG0026AB
Molecular Formula:
C7H4FNO2
Molecular Weight:
153.1106
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Product Description
Catalog Number:
AG0026AB
Chemical Name:
4-Fluoro-benzo[d]isoxazol-3-ol
CAS Number:
178747-83-6
Molecular Formula:
C7H4FNO2
Molecular Weight:
153.1106
MDL Number:
MFCD18804910
IUPAC Name:
4-fluoro-1,2-benzoxazol-3-one
InChI:
InChI=1S/C7H4FNO2/c8-4-2-1-3-5-6(4)7(10)9-11-5/h1-3H,(H,9,10)
InChI Key:
LAMXJMFSONZHOP-UHFFFAOYSA-N
SMILES:
Fc1cccc2c1c(=O)[nH]o2
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
Properties