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1-[6-(difluoromethoxy)pyridin-3-yl]ethanone

1-[6-(difluoromethoxy)pyridin-3-yl]ethanone

CAS: 1198166-10-7

Formula: C8H7F2NO2

SMILES: CC(=O)C1=CC=C(OC(F)F)N=C1

IUPAC: 1-[6-(difluoromethoxy)pyridin-3-yl]ethan-1-one

InChI: InChI=1S/C8H7F2NO2/c1-5(12)6-2-3-7(11-4-6)13-8(9)10/h2-4,8H,1H3

Composition: C (51.34%), H (3.77%), F (20.30%), N (7.48%), O (17.10%)

Molar Mass: 187.146

Atom Count: 20

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 187.044484795
Formal Charge 0
FSP3 0.25
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey JCMKOGOMMONSBN-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 41.09
Topological Polar Surface Area 39.19
Polarizability 15.34
Ring Count 1
Rotatable Bond Count 3

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