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114583-08-3 | Anthracene, 9,10-dibromo-2-(1,1-dimethylethyl)-
CAS No: 114583-08-3 Catalog No: AG000ERA MDL No:
Product Description
Catalog Number:
AG000ERA
Chemical Name:
Anthracene, 9,10-dibromo-2-(1,1-dimethylethyl)-
CAS Number:
114583-08-3
Molecular Formula:
C18H16Br2
Molecular Weight:
392.1276
IUPAC Name:
9,10-dibromo-2-tert-butylanthracene
InChI:
InChI=1S/C18H16Br2/c1-18(2,3)11-8-9-14-15(10-11)17(20)13-7-5-4-6-12(13)16(14)19/h4-10H,1-3H3
InChI Key:
BWFOVZDGMFZPFX-UHFFFAOYSA-N
SMILES:
Brc1c2cc(ccc2c(c2c1cccc2)Br)C(C)(C)C
Properties
Complexity:
346
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
391.96g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
392.134g/mol
Monoisotopic Mass:
389.962g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.2
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