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94330-95-7 | 5,5'-Biisoxazole, 4,5-dihydro-3,3'-diphenyl-
CAS No: 94330-95-7 Catalog No: AG006BYK MDL No:
Product Description
Catalog Number:
AG006BYK
Chemical Name:
5,5'-Biisoxazole, 4,5-dihydro-3,3'-diphenyl-
CAS Number:
94330-95-7
Molecular Formula:
C18H14N2O2
Molecular Weight:
290.3160
IUPAC Name:
3-phenyl-5-(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)-1,2-oxazole
InChI:
InChI=1S/C18H14N2O2/c1-3-7-13(8-4-1)15-11-17(21-19-15)18-12-16(20-22-18)14-9-5-2-6-10-14/h1-11,18H,12H2
InChI Key:
RPUUSIJGHNDQMG-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)C1=NOC(C1)c1onc(c1)c1ccccc1
Properties
Complexity:
400
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
290.106g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
290.322g/mol
Monoisotopic Mass:
290.106g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
47.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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