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139087-89-1 | 1H-Tetrazole, 1-phenyl-5-(5-phenyl-4-isoxazolyl)-
CAS No: 139087-89-1 Catalog No: AG001A81 MDL No:
Product Description
Catalog Number:
AG001A81
Chemical Name:
1H-Tetrazole, 1-phenyl-5-(5-phenyl-4-isoxazolyl)-
CAS Number:
139087-89-1
Molecular Formula:
C16H11N5O
Molecular Weight:
289.2914
IUPAC Name:
5-phenyl-4-(1-phenyltetrazol-5-yl)-1,2-oxazole
InChI:
InChI=1S/C16H11N5O/c1-3-7-12(8-4-1)15-14(11-17-22-15)16-18-19-20-21(16)13-9-5-2-6-10-13/h1-11H
InChI Key:
OZNVXIVBKQRKJL-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)n1nnnc1c1cnoc1c1ccccc1
Properties
Complexity:
356
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
289.096g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
289.298g/mol
Monoisotopic Mass:
289.096g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
69.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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