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127054-60-8 | 3H-Xanthen-3-one, 9-(3,5-dibromo-2-hydroxyphenyl)-2,6,7-trihydroxy-
CAS No: 127054-60-8 Catalog No: AG000WMW MDL No:
Product Description
Catalog Number:
AG000WMW
Chemical Name:
3H-Xanthen-3-one, 9-(3,5-dibromo-2-hydroxyphenyl)-2,6,7-trihydroxy-
CAS Number:
127054-60-8
Molecular Formula:
C19H10Br2O6
Molecular Weight:
494.0871
IUPAC Name:
9-(3,5-dibromo-2-hydroxyphenyl)-2,6,7-trihydroxyxanthen-3-one
InChI:
InChI=1S/C19H10Br2O6/c20-7-1-10(19(26)11(21)2-7)18-8-3-12(22)14(24)5-16(8)27-17-6-15(25)13(23)4-9(17)18/h1-6,22-24,26H
InChI Key:
CLAMJCHYURQAEB-UHFFFAOYSA-N
SMILES:
Brc1cc(Br)c(c(c1)c1c2cc(O)c(=O)cc2oc2c1cc(O)c(c2)O)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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