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1158208-69-5 | Isoxazole, 4-benzo[b]thien-5-yl-3,5-diMethyl-
CAS No: 1158208-69-5 Catalog No: AG000GWH MDL No:
Product Description
Catalog Number:
AG000GWH
Chemical Name:
Isoxazole, 4-benzo[b]thien-5-yl-3,5-diMethyl-
CAS Number:
1158208-69-5
Molecular Formula:
C13H11NOS
Molecular Weight:
229.2975
IUPAC Name:
4-(1-benzothiophen-5-yl)-3,5-dimethyl-1,2-oxazole
InChI:
InChI=1S/C13H11NOS/c1-8-13(9(2)15-14-8)11-3-4-12-10(7-11)5-6-16-12/h3-7H,1-2H3
InChI Key:
QIJGVBXFEUNYLQ-UHFFFAOYSA-N
SMILES:
Cc1onc(c1c1ccc2c(c1)ccs2)C
Properties
Complexity:
260
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.056g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
229.297g/mol
Monoisotopic Mass:
229.056g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
54.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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