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851182-49-5 | 9(10H)-Phenanthrenone, 2,7-dibromo-10-(2-ethylhexyl)-10-hydroxy-
CAS No: 851182-49-5 Catalog No: AG004XCB MDL No:
Product Description
Catalog Number:
AG004XCB
Chemical Name:
9(10H)-Phenanthrenone, 2,7-dibromo-10-(2-ethylhexyl)-10-hydroxy-
CAS Number:
851182-49-5
Molecular Formula:
C22H24Br2O2
Molecular Weight:
480.2328
IUPAC Name:
2,7-dibromo-10-(2-ethylhexyl)-10-hydroxyphenanthren-9-one
InChI:
InChI=1S/C22H24Br2O2/c1-3-5-6-14(4-2)13-22(26)20-12-16(24)8-10-18(20)17-9-7-15(23)11-19(17)21(22)25/h7-12,14,26H,3-6,13H2,1-2H3
InChI Key:
GKTUXLJNWUORJX-UHFFFAOYSA-N
SMILES:
CCCCC(CC1(O)C(=O)c2cc(Br)ccc2c2c1cc(Br)cc2)CC
Properties
Complexity:
497
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
480.012g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
480.24g/mol
Monoisotopic Mass:
478.014g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
7.5
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