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578-84-7 | 7-Methoxy-2-(trifluoromethyl)-4H-chromen-4-one
CAS No: 578-84-7 Catalog No: AG003NFY MDL No:MFCD00760804
Product Description
Catalog Number:
AG003NFY
Chemical Name:
7-Methoxy-2-(trifluoromethyl)-4H-chromen-4-one
CAS Number:
578-84-7
Molecular Formula:
C11H7F3O3
Molecular Weight:
244.1667
MDL Number:
MFCD00760804
IUPAC Name:
7-methoxy-2-(trifluoromethyl)chromen-4-one
InChI:
InChI=1S/C11H7F3O3/c1-16-6-2-3-7-8(15)5-10(11(12,13)14)17-9(7)4-6/h2-5H,1H3
InChI Key:
KJVYPPZKUJGINW-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)oc(cc2=O)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:
3.2
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