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6-fluoro-2-methyl-2,3-dihydro-1-benzopyran-4-one

6-fluoro-2-methyl-2,3-dihydro-1-benzopyran-4-one

CAS: 88754-96-5

Formula: C10H9FO2

SMILES: CC1CC(=O)C2=C(O1)C=CC(F)=C2

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

InChI: InChI=1/C10H9FO2/c1-6-4-9(12)8-5-7(11)2-3-10(8)13-6/h2-3,5-6H,4H2,1H3

Composition: C (66.66%), H (5.04%), F (10.54%), O (17.76%)

Molar Mass: 180.178

Atom Count: 22

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 180.058657693
Formal Charge 0
FSP3 0.3
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey RPAIBTVEPAACRP-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 45.7
Topological Polar Surface Area 26.3
Polarizability 17.4
Ring Count 2
Rotatable Bond Count 0

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