Home Carboxys 3-Isoxazolecarboxylicacid, 5-(fluoromethyl)-

3-Isoxazolecarboxylicacid, 5-(fluoromethyl)-

CAS No.:
145441-16-3
Catalog Number:
AG007JV7
Molecular Formula:
C5H4FNO3
Molecular Weight:
145.0886
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Product Description
Catalog Number:
AG007JV7
Chemical Name:
3-Isoxazolecarboxylicacid, 5-(fluoromethyl)-
CAS Number:
145441-16-3
Molecular Formula:
C5H4FNO3
Molecular Weight:
145.0886
IUPAC Name:
5-(fluoromethyl)-1,2-oxazole-3-carboxylic acid
InChI:
InChI=1S/C5H4FNO3/c6-2-3-1-4(5(8)9)7-10-3/h1H,2H2,(H,8,9)
InChI Key:
WVUKMWOGVJZCSS-UHFFFAOYSA-N
SMILES:
FCc1onc(c1)C(=O)O
Properties
Complexity:
141  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
145.018g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
145.089g/mol
Monoisotopic Mass:
145.018g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5  
Properties