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205381-69-7 | Benzonitrile, 4-[[4-amino-6-[[2,5-bis(trifluoromethyl)phenyl]methyl]-1,3,5-triazin-2-yl]amino]-
CAS No: 205381-69-7 Catalog No: AG002A1O MDL No:
Product Description
Catalog Number:
AG002A1O
Chemical Name:
Benzonitrile, 4-[[4-amino-6-[[2,5-bis(trifluoromethyl)phenyl]methyl]-1,3,5-triazin-2-yl]amino]-
CAS Number:
205381-69-7
Molecular Formula:
C19H12F6N6
Molecular Weight:
438.3292
IUPAC Name:
4-[[4-amino-6-[[2,5-bis(trifluoromethyl)phenyl]methyl]-1,3,5-triazin-2-yl]amino]benzonitrile
InChI:
InChI=1S/C19H12F6N6/c20-18(21,22)12-3-6-14(19(23,24)25)11(7-12)8-15-29-16(27)31-17(30-15)28-13-4-1-10(9-26)2-5-13/h1-7H,8H2,(H3,27,28,29,30,31)
InChI Key:
FOWHEFJZOUFWHJ-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)Nc1nc(nc(n1)N)Cc1cc(ccc1C(F)(F)F)C(F)(F)F
Properties
Complexity:
638
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
438.103g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
12
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
438.337g/mol
Monoisotopic Mass:
438.103g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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