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859158-05-7 | Thiazolium, 4,5-dimethyl-3-(1-methyl-2-oxo-2-phenylethyl)-, bromide
CAS No: 859158-05-7 Catalog No: AG004MTA MDL No:
Product Description
Catalog Number:
AG004MTA
Chemical Name:
Thiazolium, 4,5-dimethyl-3-(1-methyl-2-oxo-2-phenylethyl)-, bromide
CAS Number:
859158-05-7
Molecular Formula:
C14H16BrNOS
Molecular Weight:
326.2519
IUPAC Name:
2-(4,5-dimethyl-1,3-thiazol-3-ium-3-yl)-1-phenylpropan-1-one;bromide
InChI:
InChI=1S/C14H16NOS.BrH/c1-10-12(3)17-9-15(10)11(2)14(16)13-7-5-4-6-8-13;/h4-9,11H,1-3H3;1H/q+1;/p-1
InChI Key:
OYEJZXGZGNIMPW-UHFFFAOYSA-M
SMILES:
O=C(C([n+]1csc(c1C)C)C)c1ccccc1.[Br-]
Properties
Complexity:
275
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
325.014g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
326.252g/mol
Monoisotopic Mass:
325.014g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
49.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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