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5-bromo-2-(methoxycarbonyl)pyridin-1-ium-1-olate

5-bromo-2-(methoxycarbonyl)pyridin-1-ium-1-olate

CAS: 959741-32-3

Formula: C7H6BrNO3

SMILES: COC(=O)C1=CC=C(Br)C=[N+]1[O-]

IUPAC: 5-bromo-2-(methoxycarbonyl)pyridin-1-ium-1-olate

InChI: InChI=1S/C7H6BrNO3/c1-12-7(10)6-3-2-5(8)4-9(6)11/h2-4H,1H3

Composition: C (36.23%), H (2.61%), Br (34.44%), N (6.04%), O (20.69%)

Molar Mass: 232.033

Atom Count: 18

Heavy Atom Count: 12

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 230.953106
Formal Charge 0
FSP3 0.14
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey MCYWPISPRQLCFC-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 46.74
Topological Polar Surface Area 53.24
Polarizability 17.43
Ring Count 1
Rotatable Bond Count 2

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Purity LeadTime CAS PacketSize UnitPrice
97% <5 Days 959741-32-3 $26.48-$358.12$26.48$39.09$98.36$358.12
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