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101478-15-3 | 1,8-Naphthyridin-2-amine, 3,6-dinitro-
CAS No: 101478-15-3 Catalog No: AG0004KT MDL No:
Product Description
Catalog Number:
AG0004KT
Chemical Name:
1,8-Naphthyridin-2-amine, 3,6-dinitro-
CAS Number:
101478-15-3
Molecular Formula:
C8H5N5O4
Molecular Weight:
235.1564
IUPAC Name:
3,6-dinitro-1,8-naphthyridin-2-amine
InChI:
InChI=1S/C8H5N5O4/c9-7-6(13(16)17)2-4-1-5(12(14)15)3-10-8(4)11-7/h1-3H,(H2,9,10,11)
InChI Key:
HFQWPADBKCYDAP-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cnc2c(c1)cc(c(n2)N)[N+](=O)[O-]
Properties
Complexity:
327
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.034g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
235.159g/mol
Monoisotopic Mass:
235.034g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
143A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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