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Home > Fluorides > 142181-55-3
142181-55-3 | 3H-Xanthen-3-one, 9-(2-fluorophenyl)-2,6,7-trihydroxy-
CAS No: 142181-55-3 Catalog No: AG001HWT MDL No:
Product Description
Catalog Number:
AG001HWT
Chemical Name:
3H-Xanthen-3-one, 9-(2-fluorophenyl)-2,6,7-trihydroxy-
CAS Number:
142181-55-3
Molecular Formula:
C19H11FO5
Molecular Weight:
338.2860
IUPAC Name:
9-(2-fluorophenyl)-2,6,7-trihydroxyxanthen-3-one
InChI:
InChI=1S/C19H11FO5/c20-12-4-2-1-3-9(12)19-10-5-13(21)15(23)7-17(10)25-18-8-16(24)14(22)6-11(18)19/h1-8,21-23H
InChI Key:
CAUGBHZTZAHNMY-UHFFFAOYSA-N
SMILES:
Oc1cc2c(cc1O)oc1c(c2c2ccccc2F)cc(c(=O)c1)O
Properties
Complexity:
679
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
338.059g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
338.29g/mol
Monoisotopic Mass:
338.059g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
87A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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