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Home > Fluorides > 113641-78-4
113641-78-4 | Isoxazole, 5-(4-fluorophenyl)-4-nitro-3-phenyl-
CAS No: 113641-78-4 Catalog No: AG00097F MDL No:
Product Description
Catalog Number:
AG00097F
Chemical Name:
Isoxazole, 5-(4-fluorophenyl)-4-nitro-3-phenyl-
CAS Number:
113641-78-4
Molecular Formula:
C15H9FN2O3
Molecular Weight:
284.2420
IUPAC Name:
5-(4-fluorophenyl)-4-nitro-3-phenyl-1,2-oxazole
InChI:
InChI=1S/C15H9FN2O3/c16-12-8-6-11(7-9-12)15-14(18(19)20)13(17-21-15)10-4-2-1-3-5-10/h1-9H
InChI Key:
KRMFAUBOENIAHX-UHFFFAOYSA-N
SMILES:
Fc1ccc(cc1)c1onc(c1[N+](=O)[O-])c1ccccc1
Properties
Complexity:
362
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.06g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
284.246g/mol
Monoisotopic Mass:
284.06g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
71.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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