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Home > Fluorides > 1314639-03-6
1314639-03-6 | 4H-1-Benzothiopyran-4-one, 5-fluoro-2,3-dihydro-
CAS No: 1314639-03-6 Catalog No: AG000W8G MDL No:MFCD22426351
Product Description
Catalog Number:
AG000W8G
Chemical Name:
4H-1-Benzothiopyran-4-one, 5-fluoro-2,3-dihydro-
CAS Number:
1314639-03-6
Molecular Formula:
C9H7FOS
Molecular Weight:
182.2147
MDL Number:
MFCD22426351
IUPAC Name:
5-fluoro-2,3-dihydrothiochromen-4-one
InChI:
InChI=1S/C9H7FOS/c10-6-2-1-3-8-9(6)7(11)4-5-12-8/h1-3H,4-5H2
InChI Key:
IHILINQJLSKRTM-UHFFFAOYSA-N
SMILES:
O=C1CCSc2c1c(F)ccc2
Properties
Complexity:
195
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.02g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
182.212g/mol
Monoisotopic Mass:
182.02g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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