Home Carboxys 3-(4-Fluorophenyl)isoxazole-5-carboxylic acid

3-(4-Fluorophenyl)isoxazole-5-carboxylic acid

CAS No.:
618383-48-5
Catalog Number:
AG00EBSO
Molecular Formula:
C10H6FNO3
Molecular Weight:
207.1579
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Product Description
Catalog Number:
AG00EBSO
Chemical Name:
3-(4-Fluorophenyl)isoxazole-5-carboxylic acid
CAS Number:
618383-48-5
Molecular Formula:
C10H6FNO3
Molecular Weight:
207.1579
MDL Number:
MFCD05150725
IUPAC Name:
3-(4-fluorophenyl)-1,2-oxazole-5-carboxylic acid
InChI:
InChI=1S/C10H6FNO3/c11-7-3-1-6(2-4-7)8-5-9(10(13)14)15-12-8/h1-5H,(H,13,14)
InChI Key:
RAPIFMAMJGZVMX-UHFFFAOYSA-N
SMILES:
Fc1ccc(cc1)c1noc(c1)C(=O)O
Properties
Complexity:
241  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.033g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
207.16g/mol
Monoisotopic Mass:
207.033g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties