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109495-48-9 | Pyridinium,1-methyl-4-(5-phenyl-2-oxazolyl)-, chloride (1:1)
CAS No: 109495-48-9 Catalog No: AG007AI6 MDL No:
Product Description
Catalog Number:
AG007AI6
Chemical Name:
Pyridinium,1-methyl-4-(5-phenyl-2-oxazolyl)-, chloride (1:1)
CAS Number:
109495-48-9
Molecular Formula:
C15H13ClN2O
Molecular Weight:
272.7295
IUPAC Name:
2-(1-methylpyridin-1-ium-4-yl)-5-phenyl-1,3-oxazole;chloride
InChI:
InChI=1S/C15H13N2O.ClH/c1-17-9-7-13(8-10-17)15-16-11-14(18-15)12-5-3-2-4-6-12;/h2-11H,1H3;1H/q+1;/p-1
InChI Key:
HBHGKGHGFXDXKW-UHFFFAOYSA-M
SMILES:
C[n+]1ccc(cc1)c1ncc(o1)c1ccccc1.[Cl-]
Properties
Complexity:
257
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.072g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
272.732g/mol
Monoisotopic Mass:
272.072g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
29.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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