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89407-82-9 | Ethanol, 2-[(6-bromo-3-chloro-5-nitropyrazinyl)amino]-
CAS No: 89407-82-9 Catalog No: AG004ND9 MDL No:
Product Description
Catalog Number:
AG004ND9
Chemical Name:
Ethanol, 2-[(6-bromo-3-chloro-5-nitropyrazinyl)amino]-
CAS Number:
89407-82-9
Molecular Formula:
C6H6BrClN4O3
Molecular Weight:
297.4938
IUPAC Name:
2-[(6-bromo-3-chloro-5-nitropyrazin-2-yl)amino]ethanol
InChI:
InChI=1S/C6H6BrClN4O3/c7-3-6(12(14)15)11-4(8)5(10-3)9-1-2-13/h13H,1-2H2,(H,9,10)
InChI Key:
DCZUDXXZBCIMHT-UHFFFAOYSA-N
SMILES:
OCCNc1nc(Br)c(nc1Cl)[N+](=O)[O-]
Properties
Complexity:
229
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
295.931g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
297.493g/mol
Monoisotopic Mass:
295.931g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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