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1-[3-(difluoromethoxy)phenyl]ethanone

1-[3-(difluoromethoxy)phenyl]ethanone

CAS: 101975-23-9

Formula: C9H8F2O2

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

IUPAC: 1-[3-(difluoromethoxy)phenyl]ethan-1-one

InChI: InChI=1S/C9H8F2O2/c1-6(12)7-3-2-4-8(5-7)13-9(10)11/h2-5,9H,1H3

Composition: C (58.07%), H (4.33%), F (20.41%), O (17.19%)

Molar Mass: 186.158

Atom Count: 21

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 186.049235824
Formal Charge 0
FSP3 0.22
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey RLBDNZCDRGGGEE-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 42.93
Topological Polar Surface Area 26.3
Polarizability 16.14
Ring Count 1
Rotatable Bond Count 3

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