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26277-39-4 | 2-Butanone, 1-diazo-3-[(2,4-dinitrophenyl)amino]-, (S)- (9CI)
CAS No: 26277-39-4 Catalog No: AG002SJN MDL No:
Product Description
Catalog Number:
AG002SJN
Chemical Name:
2-Butanone, 1-diazo-3-[(2,4-dinitrophenyl)amino]-, (S)- (9CI)
CAS Number:
26277-39-4
Molecular Formula:
C10H9N5O5
Molecular Weight:
279.2090
IUPAC Name:
(3S)-1-diazo-3-(2,4-dinitroanilino)butan-2-one
InChI:
InChI=1S/C10H9N5O5/c1-6(10(16)5-12-11)13-8-3-2-7(14(17)18)4-9(8)15(19)20/h2-6,13H,1H3/t6-/m0/s1
InChI Key:
AZEWHAJMABFWMV-LURJTMIESA-N
SMILES:
[N-]=[N+]=CC(=O)[C@@H](Nc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])C
Properties
Complexity:
450
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
279.06g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
279.212g/mol
Monoisotopic Mass:
279.06g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
123A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.3
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