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844696-83-9 | Anthracene, 2,6-dibromo-9,10-dipropoxy-
CAS No: 844696-83-9 Catalog No: AG004S2X MDL No:
Product Description
Catalog Number:
AG004S2X
Chemical Name:
Anthracene, 2,6-dibromo-9,10-dipropoxy-
CAS Number:
844696-83-9
Molecular Formula:
C20H20Br2O2
Molecular Weight:
452.1796
IUPAC Name:
2,6-dibromo-9,10-dipropoxyanthracene
InChI:
InChI=1S/C20H20Br2O2/c1-3-9-23-19-15-7-5-14(22)12-18(15)20(24-10-4-2)16-8-6-13(21)11-17(16)19/h5-8,11-12H,3-4,9-10H2,1-2H3
InChI Key:
FENOXFRPIWQPNC-UHFFFAOYSA-N
SMILES:
CCCOc1c2cc(Br)ccc2c(c2c1ccc(c2)Br)OCCC
Properties
Complexity:
356
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
451.981g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
452.186g/mol
Monoisotopic Mass:
449.983g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.5
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