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25755-81-1 | 5-Butylthio-3-phenylisoxazole
CAS No: 25755-81-1 Catalog No: AG00BP27 MDL No:
Product Description
Catalog Number:
AG00BP27
Chemical Name:
5-Butylthio-3-phenylisoxazole
CAS Number:
25755-81-1
IUPAC Name:
5-butylsulfanyl-3-phenyl-1,2-oxazole
InChI:
InChI=1S/C13H15NOS/c1-2-3-9-16-13-10-12(14-15-13)11-7-5-4-6-8-11/h4-8,10H,2-3,9H2,1H3
InChI Key:
ROWNVYVSXKHRMI-UHFFFAOYSA-N
Properties
Complexity:
194
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.087g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
233.329g/mol
Monoisotopic Mass:
233.087g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
51.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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