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Home > Fluorides > 137460-59-4
137460-59-4 | 4H-1-Benzopyran-4-one, 7-hydroxy-3-phenoxy-2-(trifluoromethyl)-
CAS No: 137460-59-4 Catalog No: AG0013AR MDL No:
Product Description
Catalog Number:
AG0013AR
Chemical Name:
4H-1-Benzopyran-4-one, 7-hydroxy-3-phenoxy-2-(trifluoromethyl)-
CAS Number:
137460-59-4
Molecular Formula:
C16H9F3O4
Molecular Weight:
322.2355
IUPAC Name:
7-hydroxy-3-phenoxy-2-(trifluoromethyl)chromen-4-one
InChI:
InChI=1S/C16H9F3O4/c17-16(18,19)15-14(22-10-4-2-1-3-5-10)13(21)11-7-6-9(20)8-12(11)23-15/h1-8,20H
InChI Key:
FDXSCZFRCZEOGP-UHFFFAOYSA-N
SMILES:
Oc1ccc2c(c1)oc(c(c2=O)Oc1ccccc1)C(F)(F)F
Properties
Complexity:
494
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
322.045g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
322.239g/mol
Monoisotopic Mass:
322.045g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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