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Home > Fluorides > 879416-94-1
879416-94-1 | 2H-1-Benzopyran-2-one, 6-fluoro-4-(4-fluorophenyl)-
CAS No: 879416-94-1 Catalog No: AG004EFU MDL No:
Product Description
Catalog Number:
AG004EFU
Chemical Name:
2H-1-Benzopyran-2-one, 6-fluoro-4-(4-fluorophenyl)-
CAS Number:
879416-94-1
Molecular Formula:
C15H8F2O2
Molecular Weight:
258.2196
IUPAC Name:
6-fluoro-4-(4-fluorophenyl)chromen-2-one
InChI:
InChI=1S/C15H8F2O2/c16-10-3-1-9(2-4-10)12-8-15(18)19-14-6-5-11(17)7-13(12)14/h1-8H
InChI Key:
VXWMBQCRXOIHCJ-UHFFFAOYSA-N
SMILES:
Fc1ccc(cc1)c1cc(=O)oc2c1cc(F)cc2
Properties
Complexity:
386
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.049g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
258.224g/mol
Monoisotopic Mass:
258.049g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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