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15876-39-8 | Spiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one, 2',4',5',7'-tetrabromo-3',6'-dihydroxy-, aluminum salt (3:2)
CAS No: 15876-39-8 Catalog No: AG001QUB MDL No:
Product Description
Catalog Number:
AG001QUB
Chemical Name:
Spiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one, 2',4',5',7'-tetrabromo-3',6'-dihydroxy-, aluminum salt (3:2)
CAS Number:
15876-39-8
IUPAC Name:
aluminum;2-(2,4,5,7-tetrabromo-3-oxido-6-oxoxanthen-9-yl)benzoate
InChI:
InChI=1S/3C20H8Br4O5.2Al/c3*21-11-5-9-13(7-3-1-2-4-8(7)20(27)28)10-6-12(22)17(26)15(24)19(10)29-18(9)14(23)16(11)25;;/h3*1-6,25H,(H,27,28);;/p-6
InChI Key:
QAWKQIRPBMTDFI-UHFFFAOYSA-H
EC Number:
240-005-7
Properties
Complexity:
797
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
5
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
1991.035g/mol
Formal Charge:
-6
Heavy Atom Count:
89
Hydrogen Bond Acceptor Count:
15
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
1991.6g/mol
Monoisotopic Mass:
1979.048g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
269A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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