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4-[5-(chloromethyl)-1,2,4-oxadiazol-3-yl]pyridin-1-ium-1-olate

4-[5-(chloromethyl)-1,2,4-oxadiazol-3-yl]pyridin-1-ium-1-olate

Formula: C8H6ClN3O2

SMILES: [O-][N+]1=CC=C(C=C1)C1=NOC(CCl)=N1

IUPAC: 4-[5-(chloromethyl)-1,2,4-oxadiazol-3-yl]pyridin-1-ium-1-olate

InChI: InChI=1S/C8H6ClN3O2/c9-5-7-10-8(11-14-7)6-1-3-12(13)4-2-6/h1-4H,5H2

Composition: C (45.41%), H (2.86%), Cl (16.75%), N (19.86%), O (15.12%)

Molar Mass: 211.61

Atom Count: 20

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 211.0148541
Formal Charge 0
FSP3 0.12
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey KXAMYYKRSFDXRI-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 62.43
Topological Polar Surface Area 65.86
Polarizability 19.07
Ring Count 2
Rotatable Bond Count 2

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
LabNetwork INC
Purity LeadTime Formula PacketSize UnitPrice
95% 1 Day C8H6ClN3O2 $634.14-$4,761.67$634.14$1,586.47$4,761.67
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