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1736-21-6 | 4-Isoxazolecarboxylic acid, 3-(4-fluorophenyl)-5-methyl-
CAS No: 1736-21-6 Catalog No: AG001Z2H MDL No:MFCD03407356
Product Description
Catalog Number:
AG001Z2H
Chemical Name:
4-Isoxazolecarboxylic acid, 3-(4-fluorophenyl)-5-methyl-
CAS Number:
1736-21-6
Molecular Formula:
C11H8FNO3
Molecular Weight:
221.1845
MDL Number:
MFCD03407356
IUPAC Name:
3-(4-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxylic acid
InChI:
InChI=1S/C11H8FNO3/c1-6-9(11(14)15)10(13-16-6)7-2-4-8(12)5-3-7/h2-5H,1H3,(H,14,15)
InChI Key:
PDEGBONVUJDOFN-UHFFFAOYSA-N
SMILES:
Fc1ccc(cc1)c1noc(c1C(=O)O)C
Properties
Complexity:
266
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.049g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
221.187g/mol
Monoisotopic Mass:
221.049g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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