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Home > Fluorides > 111141-00-5
111141-00-5 | 8-Fluorochroman-4-one
CAS No: 111141-00-5 Catalog No: AG003NIC MDL No:MFCD09744011
Product Description
Catalog Number:
AG003NIC
Chemical Name:
8-Fluorochroman-4-one
CAS Number:
111141-00-5
Molecular Formula:
C9H7FO2
Molecular Weight:
166.1491
MDL Number:
MFCD09744011
IUPAC Name:
8-fluoro-2,3-dihydrochromen-4-one
InChI:
InChI=1S/C9H7FO2/c10-7-3-1-2-6-8(11)4-5-12-9(6)7/h1-3H,4-5H2
InChI Key:
FKDMFDMYQZIZMI-UHFFFAOYSA-N
SMILES:
O=C1CCOc2c1cccc2F
Properties
Complexity:
193
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.043g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
166.151g/mol
Monoisotopic Mass:
166.043g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
Literature
| Title | Journal |
|---|---|
| 3-(2-Fluoro-phen-oxy)propanoic acid. | Acta crystallographica. Section E, Structure reports online 20110101 |
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