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7-(trifluoromethoxy)-2,3-dihydro-1-benzopyran-4-one

7-(trifluoromethoxy)-2,3-dihydro-1-benzopyran-4-one

CAS: 340825-26-5

Formula: C10H7F3O3

SMILES: FC(F)(F)OC1=CC=C2C(=O)CCOC2=C1

IUPAC: 7-(trifluoromethoxy)-3,4-dihydro-2H-1-benzopyran-4-one

InChI: InChI=1S/C10H7F3O3/c11-10(12,13)16-6-1-2-7-8(14)3-4-15-9(7)5-6/h1-2,5H,3-4H2

Composition: C (51.74%), H (3.04%), F (24.55%), O (20.67%)

Molar Mass: 232.158

Atom Count: 23

Heavy Atom Count: 16

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 232.034728574
Formal Charge 0
FSP3 0.3
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey ROVOVSJXNSHPBD-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 44.13
Topological Polar Surface Area 35.53
Polarizability 17.92
Ring Count 2
Rotatable Bond Count 2

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