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Home > Fluorides > 156909-16-9
156909-16-9 | 4H-1-Benzopyran-4-one, 6-methoxy-2-(trifluoromethyl)-
CAS No: 156909-16-9 Catalog No: AG001P3C MDL No:
Product Description
Catalog Number:
AG001P3C
Chemical Name:
4H-1-Benzopyran-4-one, 6-methoxy-2-(trifluoromethyl)-
CAS Number:
156909-16-9
Molecular Formula:
C11H7F3O3
Molecular Weight:
244.1667
IUPAC Name:
6-methoxy-2-(trifluoromethyl)chromen-4-one
InChI:
InChI=1S/C11H7F3O3/c1-16-6-2-3-9-7(4-6)8(15)5-10(17-9)11(12,13)14/h2-5H,1H3
InChI Key:
ISEHAGBHPLTWSM-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)c(=O)cc(o2)C(F)(F)F
Properties
Complexity:
348
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.035g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
244.169g/mol
Monoisotopic Mass:
244.035g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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