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181695-76-1 | Isoxazole, 5-methyl-4-[4-(methylsulfonyl)phenyl]-3-phenyl-
CAS No: 181695-76-1 Catalog No: AG00231C MDL No:
Product Description
Catalog Number:
AG00231C
Chemical Name:
Isoxazole, 5-methyl-4-[4-(methylsulfonyl)phenyl]-3-phenyl-
CAS Number:
181695-76-1
Molecular Formula:
C17H15NO3S
Molecular Weight:
313.3709
IUPAC Name:
5-methyl-4-(4-methylsulfonylphenyl)-3-phenyl-1,2-oxazole
InChI:
InChI=1S/C17H15NO3S/c1-12-16(13-8-10-15(11-9-13)22(2,19)20)17(18-21-12)14-6-4-3-5-7-14/h3-11H,1-2H3
InChI Key:
AIWQSOFGFNKOOF-UHFFFAOYSA-N
SMILES:
Cc1onc(c1c1ccc(cc1)S(=O)(=O)C)c1ccccc1
Properties
Complexity:
459
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
313.077g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
313.371g/mol
Monoisotopic Mass:
313.077g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
68.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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