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163564-84-9 | Pyridinium, 1-[2-[[(4-bromo-1H-pyrrol-2-yl)carbonyl]oxy]ethyl]-3-carboxy-, inner salt
CAS No: 163564-84-9 Catalog No: AG001U8E MDL No:
Product Description
Catalog Number:
AG001U8E
Chemical Name:
Pyridinium, 1-[2-[[(4-bromo-1H-pyrrol-2-yl)carbonyl]oxy]ethyl]-3-carboxy-, inner salt
CAS Number:
163564-84-9
IUPAC Name:
1-[2-(4-bromo-1H-pyrrole-2-carbonyl)oxyethyl]pyridin-1-ium-3-carboxylate
InChI:
InChI=1S/C13H11BrN2O4/c14-10-6-11(15-7-10)13(19)20-5-4-16-3-1-2-9(8-16)12(17)18/h1-3,6-8H,4-5H2,(H-,15,17,18,19)
InChI Key:
ZQAAVTIFMIDETK-UHFFFAOYSA-N
Properties
Complexity:
361
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
337.99g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
339.145g/mol
Monoisotopic Mass:
337.99g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
86.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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