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3-chloro-5H,7H-furo[3,4-b]pyridine-5,7-dione

3-chloro-5H,7H-furo[3,4-b]pyridine-5,7-dione

CAS: 98278-86-5

Formula: C7H2ClNO3

SMILES: ClC1=CN=C2C(=O)OC(=O)C2=C1

IUPAC: 3-chloro-5H,7H-furo[3,4-b]pyridine-5,7-dione

InChI: InChI=1S/C7H2ClNO3/c8-3-1-4-5(9-2-3)7(11)12-6(4)10/h1-2H

Composition: C (45.81%), H (1.10%), Cl (19.31%), N (7.63%), O (26.15%)

Molar Mass: 183.55

Atom Count: 14

Heavy Atom Count: 12

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 182.9723206
Formal Charge 0
FSP3 0
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey HVNSQNKZCFTCOR-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 39.64
Topological Polar Surface Area 56.26
Polarizability 15.27
Ring Count 2
Rotatable Bond Count 0

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