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16336-00-8 | 2,6-Pyridinediamine, 4-ethoxy-3-nitro-
CAS No: 16336-00-8 Catalog No: AG001U2O MDL No:
Product Description
Catalog Number:
AG001U2O
Chemical Name:
2,6-Pyridinediamine, 4-ethoxy-3-nitro-
CAS Number:
16336-00-8
Molecular Formula:
C7H10N4O3
Molecular Weight:
198.1793
IUPAC Name:
4-ethoxy-3-nitropyridine-2,6-diamine
InChI:
InChI=1S/C7H10N4O3/c1-2-14-4-3-5(8)10-7(9)6(4)11(12)13/h3H,2H2,1H3,(H4,8,9,10)
InChI Key:
KMIPKBXMAWLHDX-UHFFFAOYSA-N
SMILES:
CCOc1cc(N)nc(c1[N+](=O)[O-])N
NSC Number:
91007
Properties
Complexity:
208
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.075g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
198.182g/mol
Monoisotopic Mass:
198.075g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
120A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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