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88603-41-2 | 9,10-Anthracenedione, 1,4,5,8-tetraamino-2-bromo-7-(pentyloxy)-
CAS No: 88603-41-2 Catalog No: AG004CHM MDL No:
Product Description
Catalog Number:
AG004CHM
Chemical Name:
9,10-Anthracenedione, 1,4,5,8-tetraamino-2-bromo-7-(pentyloxy)-
CAS Number:
88603-41-2
Molecular Formula:
C19H21BrN4O3
Molecular Weight:
433.2990
IUPAC Name:
1,4,5,8-tetraamino-2-bromo-7-pentoxyanthracene-9,10-dione
InChI:
InChI=1S/C19H21BrN4O3/c1-2-3-4-5-27-11-7-10(22)13-15(17(11)24)19(26)14-12(18(13)25)9(21)6-8(20)16(14)23/h6-7H,2-5,21-24H2,1H3
InChI Key:
FJVHXQDFNRQLPE-UHFFFAOYSA-N
SMILES:
CCCCCOc1cc(N)c2c(c1N)C(=O)c1c(C2=O)c(N)cc(c1N)Br
Properties
Complexity:
577
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
432.08g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
433.306g/mol
Monoisotopic Mass:
432.08g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
147A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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