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4-(2,5-difluorophenyl)-2H-phthalazin-1-one

4-(2,5-difluorophenyl)-2H-phthalazin-1-one

CAS: 848068-68-8

Formula: C14H8F2N2O

SMILES: FC1=CC=C(F)C(=C1)C1=NNC(=O)C2=CC=CC=C12

IUPAC: 4-(2,5-difluorophenyl)-1,2-dihydrophthalazin-1-one

InChI: InChI=1S/C14H8F2N2O/c15-8-5-6-12(16)11(7-8)13-9-3-1-2-4-10(9)14(19)18-17-13/h1-7H,(H,18,19)

Composition: C (65.12%), H (3.12%), F (14.71%), N (10.85%), O (6.20%)

Molar Mass: 258.228

Atom Count: 27

Heavy Atom Count: 19

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 258.060469212
Formal Charge 0
FSP3 0
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey ABXJPHPEHOPWDF-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 66.6
Topological Polar Surface Area 41.46
Polarizability 23.97
Ring Count 3
Rotatable Bond Count 1

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