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7-bromo-8-fluoro-2,3-dihydro-1-benzopyran-4-one

7-bromo-8-fluoro-2,3-dihydro-1-benzopyran-4-one

CAS: 1092350-77-0

Formula: C9H6BrFO2

SMILES: FC1=C2OCCC(=O)C2=CC=C1Br

IUPAC: 7-bromo-8-fluoro-3,4-dihydro-2H-1-benzopyran-4-one

InChI: InChI=1S/C9H6BrFO2/c10-6-2-1-5-7(12)3-4-13-9(5)8(6)11/h1-2H,3-4H2

Composition: C (44.11%), H (2.47%), Br (32.61%), F (7.75%), O (13.06%)

Molar Mass: 245.047

Atom Count: 19

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 243.953521
Formal Charge 0
FSP3 0.22
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey KPAFVSLIXPVEOJ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 48.9
Topological Polar Surface Area 26.3
Polarizability 18.6
Ring Count 2
Rotatable Bond Count 0

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