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150322-02-4 | 1H-Pyrrole-2,5-dione, 1-(2',4',5',7'-tetrabromo-3',6'-dihydroxy-3-oxospiro[isobenzofuran-1(3H),9'-[9H]xanthen]-5-yl)-
CAS No: 150322-02-4 Catalog No: AG001MIQ MDL No:
Product Description
Catalog Number:
AG001MIQ
Chemical Name:
1H-Pyrrole-2,5-dione, 1-(2',4',5',7'-tetrabromo-3',6'-dihydroxy-3-oxospiro[isobenzofuran-1(3H),9'-[9H]xanthen]-5-yl)-
CAS Number:
150322-02-4
Molecular Formula:
C24H9Br4NO7
Molecular Weight:
742.9468
IUPAC Name:
5-(2,5-dioxopyrrol-1-yl)-2-(2,4,5,7-tetrabromo-3-hydroxy-6-oxoxanthen-9-yl)benzoic acid
InChI:
InChI=1S/C24H9Br4NO7/c25-13-6-11-17(9-2-1-8(5-10(9)24(34)35)29-15(30)3-4-16(29)31)12-7-14(26)21(33)19(28)23(12)36-22(11)18(27)20(13)32/h1-7,32H,(H,34,35)
InChI Key:
HHXBZYYFXVVANX-UHFFFAOYSA-N
SMILES:
O=C1OC2(c3c1cc(cc3)N1C(=O)C=CC1=O)c1cc(Br)c(c(c1Oc1c2cc(Br)c(c1Br)O)Br)O
Properties
Complexity:
1170
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
742.707g/mol
Formal Charge:
0
Heavy Atom Count:
36
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
742.952g/mol
Monoisotopic Mass:
738.711g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
121A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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