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88603-37-6 | 9,10-Anthracenedione, 1,4,5,8-tetraamino-2-bromo-7-butoxy-
CAS No: 88603-37-6 Catalog No: AG004AKD MDL No:
Product Description
Catalog Number:
AG004AKD
Chemical Name:
9,10-Anthracenedione, 1,4,5,8-tetraamino-2-bromo-7-butoxy-
CAS Number:
88603-37-6
Molecular Formula:
C18H19BrN4O3
Molecular Weight:
419.2725
IUPAC Name:
1,4,5,8-tetraamino-2-bromo-7-butoxyanthracene-9,10-dione
InChI:
InChI=1S/C18H19BrN4O3/c1-2-3-4-26-10-6-9(21)12-14(16(10)23)18(25)13-11(17(12)24)8(20)5-7(19)15(13)22/h5-6H,2-4,20-23H2,1H3
InChI Key:
TVGNXOJNESDKTR-UHFFFAOYSA-N
SMILES:
CCCCOc1cc(N)c2c(c1N)C(=O)c1c(C2=O)c(N)cc(c1N)Br
Properties
Complexity:
563
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
418.064g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
419.279g/mol
Monoisotopic Mass:
418.064g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
147A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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