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29549-98-2 | 1,2-Ethanediamine, N,N'-bis(2,4-dinitrophenyl)- (9CI)
CAS No: 29549-98-2 Catalog No: AG002YPK MDL No:
Product Description
Catalog Number:
AG002YPK
Chemical Name:
1,2-Ethanediamine, N,N'-bis(2,4-dinitrophenyl)- (9CI)
CAS Number:
29549-98-2
Molecular Formula:
C14H12N6O8
Molecular Weight:
392.2805
IUPAC Name:
N,N'-bis(2,4-dinitrophenyl)ethane-1,2-diamine
InChI:
InChI=1S/C14H12N6O8/c21-17(22)9-1-3-11(13(7-9)19(25)26)15-5-6-16-12-4-2-10(18(23)24)8-14(12)20(27)28/h1-4,7-8,15-16H,5-6H2
InChI Key:
TWJKYTHXLSWGFA-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(ccc1NCCNc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]
NSC Number:
226248
Properties
Complexity:
545
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
392.072g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
392.284g/mol
Monoisotopic Mass:
392.072g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
207A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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