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26368-94-5 | Pyridinium, 3-acetyl-1-(phenylmethyl)-, bromide (1:1)
CAS No: 26368-94-5 Catalog No: AG002SWM MDL No:
Product Description
Catalog Number:
AG002SWM
Chemical Name:
Pyridinium, 3-acetyl-1-(phenylmethyl)-, bromide (1:1)
CAS Number:
26368-94-5
Molecular Formula:
C14H14BrNO
Molecular Weight:
292.1711
IUPAC Name:
1-(1-benzylpyridin-1-ium-3-yl)ethanone;bromide
InChI:
InChI=1S/C14H14NO.BrH/c1-12(16)14-8-5-9-15(11-14)10-13-6-3-2-4-7-13;/h2-9,11H,10H2,1H3;1H/q+1;/p-1
InChI Key:
RCNADAZAGDYGOX-UHFFFAOYSA-M
SMILES:
CC(=O)c1ccc[n+](c1)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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