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24848-37-1 | 1,3,5-Triazin-2-amine, N-butyl-4-phenyl-6-(trichloromethyl)-
CAS No: 24848-37-1 Catalog No: AG002PMS MDL No:
Product Description
Catalog Number:
AG002PMS
Chemical Name:
1,3,5-Triazin-2-amine, N-butyl-4-phenyl-6-(trichloromethyl)-
CAS Number:
24848-37-1
Molecular Formula:
C14H15Cl3N4
Molecular Weight:
345.6547
IUPAC Name:
N-butyl-4-phenyl-6-(trichloromethyl)-1,3,5-triazin-2-amine
InChI:
InChI=1S/C14H15Cl3N4/c1-2-3-9-18-13-20-11(10-7-5-4-6-8-10)19-12(21-13)14(15,16)17/h4-8H,2-3,9H2,1H3,(H,18,19,20,21)
InChI Key:
BZNAPQHGIBMDMN-UHFFFAOYSA-N
SMILES:
CCCCNc1nc(nc(n1)c1ccccc1)C(Cl)(Cl)Cl
Properties
Complexity:
305
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
344.036g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
345.652g/mol
Monoisotopic Mass:
344.036g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
50.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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