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89013-85-4 | Pyridine, 4-(5-phenyl-2-oxazolyl)-, monoperchlorate
CAS No: 89013-85-4 Catalog No: AG0042UI MDL No:
Product Description
Catalog Number:
AG0042UI
Chemical Name:
Pyridine, 4-(5-phenyl-2-oxazolyl)-, monoperchlorate
CAS Number:
89013-85-4
Molecular Formula:
C14H11ClN2O5
Molecular Weight:
322.7005
IUPAC Name:
perchloric acid;5-phenyl-2-pyridin-4-yl-1,3-oxazole
InChI:
InChI=1S/C14H10N2O.ClHO4/c1-2-4-11(5-3-1)13-10-16-14(17-13)12-6-8-15-9-7-12;2-1(3,4)5/h1-10H;(H,2,3,4,5)
InChI Key:
CSGYNPQDJQWHJP-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)c1cnc(o1)c1ccncc1.O[Cl](=O)(=O)=O
Properties
Complexity:
348
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
322.036g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
322.701g/mol
Monoisotopic Mass:
322.036g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
110A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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