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89010-49-1 | 1,3-Butanedione, 1-phenyl-2-[(2,4,6-tribromophenyl)azo]-
CAS No: 89010-49-1 Catalog No: AG0044N6 MDL No:
Product Description
Catalog Number:
AG0044N6
Chemical Name:
1,3-Butanedione, 1-phenyl-2-[(2,4,6-tribromophenyl)azo]-
CAS Number:
89010-49-1
Molecular Formula:
C16H11Br3N2O2
Molecular Weight:
502.9827
IUPAC Name:
1-phenyl-2-[(2,4,6-tribromophenyl)diazenyl]butane-1,3-dione
InChI:
InChI=1S/C16H11Br3N2O2/c1-9(22)14(16(23)10-5-3-2-4-6-10)20-21-15-12(18)7-11(17)8-13(15)19/h2-8,14H,1H3
InChI Key:
WYYHNXPDBJFBOS-UHFFFAOYSA-N
SMILES:
Brc1cc(Br)c(c(c1)Br)N=NC(C(=O)c1ccccc1)C(=O)C
Properties
Complexity:
454
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
501.835g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
502.988g/mol
Monoisotopic Mass:
499.837g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
58.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5.6
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