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74292-36-7 | Pyridinium, 3-(2-benzoxazolyl)-1,4-dimethyl-, iodide
CAS No: 74292-36-7 Catalog No: AG005CG9 MDL No:
Product Description
Catalog Number:
AG005CG9
Chemical Name:
Pyridinium, 3-(2-benzoxazolyl)-1,4-dimethyl-, iodide
CAS Number:
74292-36-7
Molecular Formula:
C14H13IN2O
Molecular Weight:
352.1703
IUPAC Name:
2-(1,4-dimethylpyridin-1-ium-3-yl)-1,3-benzoxazole;iodide
InChI:
InChI=1S/C14H13N2O.HI/c1-10-7-8-16(2)9-11(10)14-15-12-5-3-4-6-13(12)17-14;/h3-9H,1-2H3;1H/q+1;/p-1
InChI Key:
JSZSLRBHOQQXLS-UHFFFAOYSA-M
SMILES:
C[n+]1ccc(c(c1)c1nc2c(o1)cccc2)C.[I-]
Properties
Complexity:
271
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
352.007g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
352.175g/mol
Monoisotopic Mass:
352.007g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
29.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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