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2439-92-1 | Isoxazole, 4-phenyl-
CAS No: 2439-92-1 Catalog No: AG006VAC MDL No:MFCD01110614
Product Description
Catalog Number:
AG006VAC
Chemical Name:
Isoxazole, 4-phenyl-
CAS Number:
2439-92-1
Molecular Formula:
C9H7NO
Molecular Weight:
145.1580
MDL Number:
MFCD01110614
IUPAC Name:
4-phenyl-1,2-oxazole
InChI:
InChI=1S/C9H7NO/c1-2-4-8(5-3-1)9-6-10-11-7-9/h1-7H
InChI Key:
KEVAZWIBJQZOHC-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)c1conc1
Properties
Complexity:
121
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
145.053g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
145.161g/mol
Monoisotopic Mass:
145.053g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
Literature
| Title | Journal |
|---|---|
| Synthesis and biological evaluation of azole derivatives, analogues of bifonazole, with a phenylisoxazolyl or phenylpyrimidinyl moiety. | Farmaco (Societa chimica italiana : 1989) 20010901 |
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