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1-(6-chloro-5-nitropyridin-3-yl)ethanone

1-(6-chloro-5-nitropyridin-3-yl)ethanone

CAS: 127356-40-5

Formula: C7H5ClN2O3

SMILES: CC(=O)C1=CC(=C(Cl)N=C1)[N+]([O-])=O

IUPAC: 1-(6-chloro-5-nitropyridin-3-yl)ethan-1-one

InChI: InChI=1S/C7H5ClN2O3/c1-4(11)5-2-6(10(12)13)7(8)9-3-5/h2-3H,1H3

Composition: C (41.92%), H (2.51%), Cl (17.67%), N (13.97%), O (23.93%)

Molar Mass: 200.58

Atom Count: 18

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 199.9988697
Formal Charge 0
FSP3 0.14
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 0
InChIKey UZUVOPNXKQOJKI-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 46.49
Topological Polar Surface Area 73.1
Polarizability 17.19
Ring Count 1
Rotatable Bond Count 2

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