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26031-63-0 | Pyridinium, 1-[2-(4-fluorophenyl)-2-oxoethyl]-, bromide (1:1)
CAS No: 26031-63-0 Catalog No: AG002RFZ MDL No:
Product Description
Catalog Number:
AG002RFZ
Chemical Name:
Pyridinium, 1-[2-(4-fluorophenyl)-2-oxoethyl]-, bromide (1:1)
CAS Number:
26031-63-0
Molecular Formula:
C13H11BrFNO
Molecular Weight:
296.1349
IUPAC Name:
1-(4-fluorophenyl)-2-pyridin-1-ium-1-ylethanone;bromide
InChI:
InChI=1S/C13H11FNO.BrH/c14-12-6-4-11(5-7-12)13(16)10-15-8-2-1-3-9-15;/h1-9H,10H2;1H/q+1;/p-1
InChI Key:
QYOJXXIQLYMGOP-UHFFFAOYSA-M
SMILES:
Fc1ccc(cc1)C(=O)C[n+]1ccccc1.[Br-]
Properties
Complexity:
230
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
295.001g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
296.139g/mol
Monoisotopic Mass:
295.001g/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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