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81-56-1 | 1,5-DIAMINO-2,4,6,8-TETRABROMOANTHRAQUINONE
CAS No: 81-56-1 Catalog No: AG005JTY MDL No:
Product Description
Catalog Number:
AG005JTY
Chemical Name:
1,5-DIAMINO-2,4,6,8-TETRABROMOANTHRAQUINONE
CAS Number:
81-56-1
Molecular Formula:
C14H6Br4N2O2
Molecular Weight:
553.8256
IUPAC Name:
1,5-diamino-2,4,6,8-tetrabromoanthracene-9,10-dione
InChI:
InChI=1S/C14H6Br4N2O2/c15-3-1-5(17)11(19)9-7(3)13(21)10-8(14(9)22)4(16)2-6(18)12(10)20/h1-2H,19-20H2
InChI Key:
KNOYUKKOVLJJRM-UHFFFAOYSA-N
SMILES:
Brc1cc(Br)c(c2c1C(=O)c1c(C2=O)c(Br)cc(c1N)Br)N
EC Number:
201-361-9
Properties
Complexity:
461
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
553.712g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
553.83g/mol
Monoisotopic Mass:
549.716g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
86.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.4
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