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16586-72-4 | 8,16-Pyranthrenedione, 1,4,12-tribromo-
CAS No: 16586-72-4 Catalog No: AG001WE6 MDL No:
Product Description
Catalog Number:
AG001WE6
Chemical Name:
8,16-Pyranthrenedione, 1,4,12-tribromo-
CAS Number:
16586-72-4
Molecular Formula:
C30H11Br3O2
Molecular Weight:
643.1191
IUPAC Name:
1,4,12-tribromopyranthrene-8,16-dione
InChI:
InChI=1S/C30H11Br3O2/c31-19-3-1-2-14-24(19)17-10-12-5-7-16-26-18(27-20(32)8-9-21(33)28(27)30(16)35)11-13-4-6-15(29(14)34)25(17)22(13)23(12)26/h1-11H
InChI Key:
XEFBBRKOUIBPNT-UHFFFAOYSA-N
SMILES:
Brc1ccc(c2c1C(=O)c1ccc3c4c1c2cc1c4c2c(c3)c3c(Br)cccc3C(=O)c2cc1)Br
NSC Number:
75911
Properties
Complexity:
937
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
641.829g/mol
Formal Charge:
0
Heavy Atom Count:
35
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
643.128g/mol
Monoisotopic Mass:
639.831g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
9.4
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