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2352-34-3 | 1,3,5-Triazine-2,4-diamine, 6-chloro-N2,N4-bis(3-nitrophenyl)-
CAS No: 2352-34-3 Catalog No: AG002NJV MDL No:
Product Description
Catalog Number:
AG002NJV
Chemical Name:
1,3,5-Triazine-2,4-diamine, 6-chloro-N2,N4-bis(3-nitrophenyl)-
CAS Number:
2352-34-3
Molecular Formula:
C15H10ClN7O4
Molecular Weight:
387.7374
IUPAC Name:
6-chloro-2-N,4-N-bis(3-nitrophenyl)-1,3,5-triazine-2,4-diamine
InChI:
InChI=1S/C15H10ClN7O4/c16-13-19-14(17-9-3-1-5-11(7-9)22(24)25)21-15(20-13)18-10-4-2-6-12(8-10)23(26)27/h1-8H,(H2,17,18,19,20,21)
InChI Key:
AGBZKYMOVOEFJT-UHFFFAOYSA-N
SMILES:
Clc1nc(Nc2cccc(c2)[N+](=O)[O-])nc(n1)Nc1cccc(c1)[N+](=O)[O-]
Properties
Complexity:
487
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
387.048g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
387.74g/mol
Monoisotopic Mass:
387.048g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
154A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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