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Home > Fluorides > 101068-34-2
101068-34-2 | 4H-1-Benzopyran-4-one, 3-(2-fluorophenyl)-5,7-dihydroxy-
CAS No: 101068-34-2 Catalog No: AG0003NC MDL No:
Product Description
Catalog Number:
AG0003NC
Chemical Name:
4H-1-Benzopyran-4-one, 3-(2-fluorophenyl)-5,7-dihydroxy-
CAS Number:
101068-34-2
Molecular Formula:
C15H9FO4
Molecular Weight:
272.2280
IUPAC Name:
3-(2-fluorophenyl)-5,7-dihydroxychromen-4-one
InChI:
InChI=1S/C15H9FO4/c16-11-4-2-1-3-9(11)10-7-20-13-6-8(17)5-12(18)14(13)15(10)19/h1-7,17-18H
InChI Key:
YVJRFKZMPCHVJW-UHFFFAOYSA-N
SMILES:
Oc1cc(O)c2c(c1)occ(c2=O)c1ccccc1F
Properties
Complexity:
422
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.048g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
272.231g/mol
Monoisotopic Mass:
272.048g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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