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20242-33-5 | Pyridinium, 4-(3-methyl-5-isoxazolyl)-1-propyl-, bromide (1:1)
CAS No: 20242-33-5 Catalog No: AG00288B MDL No:
Product Description
Catalog Number:
AG00288B
Chemical Name:
Pyridinium, 4-(3-methyl-5-isoxazolyl)-1-propyl-, bromide (1:1)
CAS Number:
20242-33-5
Molecular Formula:
C12H15BrN2O
Molecular Weight:
283.1643
IUPAC Name:
3-methyl-5-(1-propylpyridin-1-ium-4-yl)-1,2-oxazole;bromide
InChI:
InChI=1S/C12H15N2O.BrH/c1-3-6-14-7-4-11(5-8-14)12-9-10(2)13-15-12;/h4-5,7-9H,3,6H2,1-2H3;1H/q+1;/p-1
InChI Key:
VGLKHXJQMBGCCO-UHFFFAOYSA-M
SMILES:
CCC[n+]1ccc(cc1)c1onc(c1)C.[Br-]
Properties
Complexity:
190
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.037g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
283.169g/mol
Monoisotopic Mass:
282.037g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
29.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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