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174840-95-0 | Pyridinium, 1-(2-iodobenzoyl)-4-methoxy-, chloride (1:1)
CAS No: 174840-95-0 Catalog No: AG001ZZB MDL No:
Product Description
Catalog Number:
AG001ZZB
Chemical Name:
Pyridinium, 1-(2-iodobenzoyl)-4-methoxy-, chloride (1:1)
CAS Number:
174840-95-0
Molecular Formula:
C13H11ClINO2
Molecular Weight:
375.5894
IUPAC Name:
(2-iodophenyl)-(4-methoxypyridin-1-ium-1-yl)methanone;chloride
InChI:
InChI=1S/C13H11INO2.ClH/c1-17-10-6-8-15(9-7-10)13(16)11-4-2-3-5-12(11)14;/h2-9H,1H3;1H/q+1;/p-1
InChI Key:
DKECEYOIGRDZKG-UHFFFAOYSA-M
SMILES:
COc1cc[n+](cc1)C(=O)c1ccccc1I.[Cl-]
Properties
Complexity:
264
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
374.952g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
375.59g/mol
Monoisotopic Mass:
374.952g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
30.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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