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24802-88-8

24802-88-8 | 1,3,5-Triazin-2-amine, N-(1-ethylhexyl)-4,6-bis(trichloromethyl)-

CAS No: 24802-88-8 Catalog No: AG002PIC MDL No:

Product Description

Catalog Number:
AG002PIC
Chemical Name:
1,3,5-Triazin-2-amine, N-(1-ethylhexyl)-4,6-bis(trichloromethyl)-
CAS Number:
24802-88-8
Molecular Formula:
C13H18Cl6N4
Molecular Weight:
443.0268
IUPAC Name:
N-octan-3-yl-4,6-bis(trichloromethyl)-1,3,5-triazin-2-amine
InChI:
InChI=1S/C13H18Cl6N4/c1-3-5-6-7-8(4-2)20-11-22-9(12(14,15)16)21-10(23-11)13(17,18)19/h8H,3-7H2,1-2H3,(H,20,21,22,23)
InChI Key:
HOKAEANUCXHIKF-UHFFFAOYSA-N
SMILES:
CCCCCC(Nc1nc(nc(n1)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl)CC

Properties

Complexity:
324  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
441.963g/mol
Formal Charge:
0
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
443.015g/mol
Monoisotopic Mass:
439.966g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
50.7A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
6.9  

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