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26031-67-4 | Pyridinium, 1-[2-(3-bromophenyl)-2-oxoethyl]-, bromide (1:1)
CAS No: 26031-67-4 Catalog No: AG002RFX MDL No:
Product Description
Catalog Number:
AG002RFX
Chemical Name:
Pyridinium, 1-[2-(3-bromophenyl)-2-oxoethyl]-, bromide (1:1)
CAS Number:
26031-67-4
Molecular Formula:
C13H11Br2NO
Molecular Weight:
357.0405
IUPAC Name:
1-(3-bromophenyl)-2-pyridin-1-ium-1-ylethanone;bromide
InChI:
InChI=1S/C13H11BrNO.BrH/c14-12-6-4-5-11(9-12)13(16)10-15-7-2-1-3-8-15;/h1-9H,10H2;1H/q+1;/p-1
InChI Key:
WAIHPYSAZRZQOW-UHFFFAOYSA-M
SMILES:
Brc1cccc(c1)C(=O)C[n+]1ccccc1.[Br-]
Properties
Complexity:
238
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
356.919g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
357.045g/mol
Monoisotopic Mass:
354.921g/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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