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114443-44-6 | Pyridinium, 1-methyl-3-(2-phenylacetyl)-, bromide (1:1)
CAS No: 114443-44-6 Catalog No: AG000EEX MDL No:
Product Description
Catalog Number:
AG000EEX
Chemical Name:
Pyridinium, 1-methyl-3-(2-phenylacetyl)-, bromide (1:1)
CAS Number:
114443-44-6
Molecular Formula:
C14H14BrNO
Molecular Weight:
292.1711
IUPAC Name:
1-(1-methylpyridin-1-ium-3-yl)-2-phenylethanone;bromide
InChI:
InChI=1S/C14H14NO.BrH/c1-15-9-5-8-13(11-15)14(16)10-12-6-3-2-4-7-12;/h2-9,11H,10H2,1H3;1H/q+1;/p-1
InChI Key:
HUMOFFAUVMZQFO-UHFFFAOYSA-M
SMILES:
C[n+]1cccc(c1)C(=O)Cc1ccccc1.[Br-]
Properties
Complexity:
233
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
291.026g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
292.176g/mol
Monoisotopic Mass:
291.026g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
21A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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