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Home > Fluorides > 116718-91-3
116718-91-3 | 4H-1-Benzopyran-4-one, 3-(3-fluorophenyl)-7,8-dihydroxy-
CAS No: 116718-91-3 Catalog No: AG000D5D MDL No:
Product Description
Catalog Number:
AG000D5D
Chemical Name:
4H-1-Benzopyran-4-one, 3-(3-fluorophenyl)-7,8-dihydroxy-
CAS Number:
116718-91-3
Molecular Formula:
C15H9FO4
Molecular Weight:
272.2280
IUPAC Name:
3-(3-fluorophenyl)-7,8-dihydroxychromen-4-one
InChI:
InChI=1S/C15H9FO4/c16-9-3-1-2-8(6-9)11-7-20-15-10(13(11)18)4-5-12(17)14(15)19/h1-7,17,19H
InChI Key:
KHYFIBRWNLZTSH-UHFFFAOYSA-N
SMILES:
Fc1cccc(c1)c1coc2c(c1=O)ccc(c2O)O
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:
2.6
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