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6-fluoro-2,4-dihydro-1,3-benzodioxine-8-carbonyl chloride

6-fluoro-2,4-dihydro-1,3-benzodioxine-8-carbonyl chloride

CAS: 321309-29-9

Formula: C9H6ClFO3

SMILES: FC1=CC2=C(OCOC2)C(=C1)C(Cl)=O

IUPAC: 6-fluoro-2,4-dihydro-1,3-benzodioxine-8-carbonyl chloride

InChI: InChI=1S/C9H6ClFO3/c10-9(12)7-2-6(11)1-5-3-13-4-14-8(5)7/h1-2H,3-4H2

Composition: C (49.91%), H (2.79%), Cl (16.37%), F (8.77%), O (22.16%)

Molar Mass: 216.59

Atom Count: 20

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 215.9989499
Formal Charge 0
FSP3 0.22
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey BVBRUBNOWFISPE-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 48.26
Topological Polar Surface Area 35.53
Polarizability 18.28
Ring Count 2
Rotatable Bond Count 1

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