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55281-26-0 | Propanenitrile, 3-[[4-[2-(2,6-dibromo-4-nitrophenyl)diazenyl]phenyl]ethylamino]-
CAS No: 55281-26-0 Catalog No: AG000J0B MDL No:
Product Description
Catalog Number:
AG000J0B
Chemical Name:
Propanenitrile, 3-[[4-[2-(2,6-dibromo-4-nitrophenyl)diazenyl]phenyl]ethylamino]-
CAS Number:
55281-26-0
Molecular Formula:
C17H15Br2N5O2
Molecular Weight:
481.1413
IUPAC Name:
3-[4-[(2,6-dibromo-4-nitrophenyl)diazenyl]-N-ethylanilino]propanenitrile
InChI:
InChI=1S/C17H15Br2N5O2/c1-2-23(9-3-8-20)13-6-4-12(5-7-13)21-22-17-15(18)10-14(24(25)26)11-16(17)19/h4-7,10-11H,2-3,9H2,1H3
InChI Key:
MWMJPPMTXZJLIK-UHFFFAOYSA-N
SMILES:
N#CCCNCCc1ccc(cc1)N=Nc1c(Br)cc(cc1Br)[N+](=O)[O-]
Properties
Complexity:
527
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
480.957g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
481.148g/mol
Monoisotopic Mass:
478.959g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
97.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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