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30359-73-0 | 1,3,5-Triazine-2,4-diamine, N2,N4-diphenyl-6-(tribromomethyl)-
CAS No: 30359-73-0 Catalog No: AG002ZVD MDL No:
Product Description
Catalog Number:
AG002ZVD
Chemical Name:
1,3,5-Triazine-2,4-diamine, N2,N4-diphenyl-6-(tribromomethyl)-
CAS Number:
30359-73-0
Molecular Formula:
C16H12Br3N5
Molecular Weight:
514.0120
IUPAC Name:
2-N,2-N-diphenyl-6-(tribromomethyl)-1,3,5-triazine-2,4-diamine
InChI:
InChI=1S/C16H12Br3N5/c17-16(18,19)13-21-14(20)23-15(22-13)24(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H,(H2,20,21,22,23)
InChI Key:
ZASNDAMYCBYQGD-UHFFFAOYSA-N
SMILES:
BrC(c1nc(Nc2ccccc2)nc(n1)Nc1ccccc1)(Br)Br
Properties
Complexity:
376
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
512.862g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
514.019g/mol
Monoisotopic Mass:
510.864g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
67.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.4
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