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155366-92-0 | 3H-Xanthen-3-one, 9-(4-amino-3,5-dibromophenyl)-2,6,7-trihydroxy-
CAS No: 155366-92-0 Catalog No: AG001NU8 MDL No:
Product Description
Catalog Number:
AG001NU8
Chemical Name:
3H-Xanthen-3-one, 9-(4-amino-3,5-dibromophenyl)-2,6,7-trihydroxy-
CAS Number:
155366-92-0
Molecular Formula:
C19H11Br2NO5
Molecular Weight:
493.1023
IUPAC Name:
9-(4-amino-3,5-dibromophenyl)-2,6,7-trihydroxyxanthen-3-one
InChI:
InChI=1S/C19H11Br2NO5/c20-10-1-7(2-11(21)19(10)22)18-8-3-12(23)14(25)5-16(8)27-17-6-15(26)13(24)4-9(17)18/h1-6,23-25H,22H2
InChI Key:
OJEUBZPSQFRYEE-UHFFFAOYSA-N
SMILES:
Oc1cc2c(cc1O)oc1c(c2c2cc(Br)c(c(c2)Br)N)cc(c(=O)c1)O
Properties
Complexity:
736
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
492.898g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
493.107g/mol
Monoisotopic Mass:
490.9g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
113A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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