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100882-09-5 | 1,3,5-Triazine-2,4,6-triamine, N2,N4-bis(4-nitrophenyl)-
CAS No: 100882-09-5 Catalog No: AG000339 MDL No:
Product Description
Catalog Number:
AG000339
Chemical Name:
1,3,5-Triazine-2,4,6-triamine, N2,N4-bis(4-nitrophenyl)-
CAS Number:
100882-09-5
Molecular Formula:
C15H12N8O4
Molecular Weight:
368.3070
IUPAC Name:
2-N,4-N-bis(4-nitrophenyl)-1,3,5-triazine-2,4,6-triamine
InChI:
InChI=1S/C15H12N8O4/c16-13-19-14(17-9-1-5-11(6-2-9)22(24)25)21-15(20-13)18-10-3-7-12(8-4-10)23(26)27/h1-8H,(H4,16,17,18,19,20,21)
InChI Key:
RHSOZYIZPAEASL-UHFFFAOYSA-N
SMILES:
Nc1nc(Nc2ccc(cc2)[N+](=O)[O-])nc(n1)Nc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
467
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
368.098g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
368.313g/mol
Monoisotopic Mass:
368.098g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
180A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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