Name: Name:Propanenitrile, 3-[[4-[2-(2,6-dibromo-4-nitrophenyl)diazenyl]phenyl]ethylamino]-
Brand: Angene
SKU: AG000J0B
Rating: 90 (10 reviews)

Propanenitrile, 3-[[4-[2-(2,6-dibromo-4-nitrophenyl)diazenyl]phenyl]ethylamino]-

CAS No.:

55281-26-0

Catalog Number:

AG000J0B

Molecular Formula:

C17H15Br2N5O2

Molecular Weight:

481.1413

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

MDL Number:

MFCD31562558

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-]

Complexity:

527

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

480.957g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

481.148g/mol

Monoisotopic Mass:

478.959g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

97.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

5.1