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29366-71-0 | 1,3,5-Triazine-2,4-diamine, 6-(2-nitrophenyl)-
CAS No: 29366-71-0 Catalog No: AG002Y5M MDL No:
Product Description
Catalog Number:
AG002Y5M
Chemical Name:
1,3,5-Triazine-2,4-diamine, 6-(2-nitrophenyl)-
CAS Number:
29366-71-0
Molecular Formula:
C9H8N6O2
Molecular Weight:
232.1988
IUPAC Name:
6-(2-nitrophenyl)-1,3,5-triazine-2,4-diamine
InChI:
InChI=1S/C9H8N6O2/c10-8-12-7(13-9(11)14-8)5-3-1-2-4-6(5)15(16)17/h1-4H,(H4,10,11,12,13,14)
InChI Key:
KXKDEZZKBTYIFK-UHFFFAOYSA-N
SMILES:
Nc1nc(N)nc(n1)c1ccccc1[N+](=O)[O-]
NSC Number:
118754
Properties
Complexity:
273
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.071g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
232.203g/mol
Monoisotopic Mass:
232.071g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
137A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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