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144206-06-4 | Benzoic acid, 3,5-dibromo-4-[3-[4-(2-phenyldiazenyl)phenyl]-2-triazen-1-yl]-
CAS No: 144206-06-4 Catalog No: AG001J3S MDL No:
Product Description
Catalog Number:
AG001J3S
Chemical Name:
Benzoic acid, 3,5-dibromo-4-[3-[4-(2-phenyldiazenyl)phenyl]-2-triazen-1-yl]-
CAS Number:
144206-06-4
Molecular Formula:
C19H13Br2N5O2
Molecular Weight:
503.1468
IUPAC Name:
3,5-dibromo-4-[(4-phenyldiazenylanilino)diazenyl]benzoic acid
InChI:
InChI=1S/C19H13Br2N5O2/c20-16-10-12(19(27)28)11-17(21)18(16)25-26-24-15-8-6-14(7-9-15)23-22-13-4-2-1-3-5-13/h1-11H,(H,24,25)(H,27,28)
InChI Key:
XMVUUGALOACIKC-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(Br)c(c(c1)Br)NN=Nc1ccc(cc1)N=Nc1ccccc1
Properties
Complexity:
551
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
502.942g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
503.154g/mol
Monoisotopic Mass:
500.944g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
98.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.7
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