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139412-01-4 | 3H-Xanthen-3-one, 9-(dibromohydroxyphenyl)-2,6,7-trihydroxy-
CAS No: 139412-01-4 Catalog No: AG001AZB MDL No:
Product Description
Catalog Number:
AG001AZB
Chemical Name:
3H-Xanthen-3-one, 9-(dibromohydroxyphenyl)-2,6,7-trihydroxy-
CAS Number:
139412-01-4
Molecular Formula:
C19H10Br2O6
Molecular Weight:
494.0871
IUPAC Name:
9-(3,4-dibromo-2-hydroxyphenyl)-2,6,7-trihydroxyxanthen-3-one
InChI:
InChI=1S/C19H10Br2O6/c20-10-2-1-7(19(26)18(10)21)17-8-3-11(22)13(24)5-15(8)27-16-6-14(25)12(23)4-9(16)17/h1-6,22-24,26H
InChI Key:
XUZIKCPMPYBUOR-UHFFFAOYSA-N
SMILES:
Oc1cc2c(cc1O)oc1c(c2c2ccc(c(c2O)Br)Br)cc(c(=O)c1)O
Properties
Complexity:
745
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
493.882g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
494.091g/mol
Monoisotopic Mass:
491.884g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
107A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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