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874800-58-5 | Isoxazole,5-(3,5-difluorophenyl)-
CAS No: 874800-58-5 Catalog No: AG004I6O MDL No:MFCD05664750
Product Description
Catalog Number:
AG004I6O
Chemical Name:
Isoxazole,5-(3,5-difluorophenyl)-
CAS Number:
874800-58-5
Molecular Formula:
C9H5F2NO
Molecular Weight:
181.1389
MDL Number:
MFCD05664750
IUPAC Name:
5-(3,5-difluorophenyl)-1,2-oxazole
InChI:
InChI=1S/C9H5F2NO/c10-7-3-6(4-8(11)5-7)9-1-2-12-13-9/h1-5H
InChI Key:
CWLVCYQXHDKTOW-UHFFFAOYSA-N
SMILES:
Fc1cc(F)cc(c1)c1ccno1
Properties
Complexity:
169
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.034g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
181.142g/mol
Monoisotopic Mass:
181.034g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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