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8-(chloromethyl)-6-fluoro-2,4-dihydro-1,3-benzodioxine

8-(chloromethyl)-6-fluoro-2,4-dihydro-1,3-benzodioxine

CAS: 131728-94-4

Formula: C9H8ClFO2

SMILES: FC1=CC2=C(OCOC2)C(CCl)=C1

IUPAC: 8-(chloromethyl)-6-fluoro-2,4-dihydro-1,3-benzodioxine

InChI: InChI=1S/C9H8ClFO2/c10-3-6-1-8(11)2-7-4-12-5-13-9(6)7/h1-2H,3-5H2

Composition: C (53.35%), H (3.98%), Cl (17.50%), F (9.38%), O (15.79%)

Molar Mass: 202.61

Atom Count: 21

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 202.0196854
Formal Charge 0
FSP3 0.33
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey FMONGDHUPLQOCP-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 47.01
Topological Polar Surface Area 18.46
Polarizability 18.09
Ring Count 2
Rotatable Bond Count 1

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