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methyl 6-fluoro-3,4-dihydro-2H-1-benzopyran-2-carboxylate

methyl 6-fluoro-3,4-dihydro-2H-1-benzopyran-2-carboxylate

CAS: 874649-82-8

Formula: C11H11FO3

SMILES: COC(=O)C1CCC2=C(O1)C=CC(F)=C2

IUPAC: methyl 6-fluoro-3,4-dihydro-2H-1-benzopyran-2-carboxylate

InChI: InChI=1/C11H11FO3/c1-14-11(13)10-4-2-7-6-8(12)3-5-9(7)15-10/h3,5-6,10H,2,4H2,1H3

Composition: C (62.85%), H (5.27%), F (9.04%), O (22.83%)

Molar Mass: 210.204

Atom Count: 26

Heavy Atom Count: 15

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 210.069222377
Formal Charge 0
FSP3 0.36
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey QAYAXMIKHJVIJM-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 51.25
Topological Polar Surface Area 35.53
Polarizability 19.98
Ring Count 2
Rotatable Bond Count 2

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