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205381-72-2 | Benzonitrile, 4-[[4-amino-6-[(3,5-difluorophenyl)methyl]-1,3,5-triazin-2-yl]amino]-
CAS No: 205381-72-2 Catalog No: AG002A1N MDL No:
Product Description
Catalog Number:
AG002A1N
Chemical Name:
Benzonitrile, 4-[[4-amino-6-[(3,5-difluorophenyl)methyl]-1,3,5-triazin-2-yl]amino]-
CAS Number:
205381-72-2
Molecular Formula:
C17H12F2N6
Molecular Weight:
338.3142
IUPAC Name:
4-[[4-amino-6-[(3,5-difluorophenyl)methyl]-1,3,5-triazin-2-yl]amino]benzonitrile
InChI:
InChI=1S/C17H12F2N6/c18-12-5-11(6-13(19)8-12)7-15-23-16(21)25-17(24-15)22-14-3-1-10(9-20)2-4-14/h1-6,8H,7H2,(H3,21,22,23,24,25)
InChI Key:
KMBJNPIJUSHVFT-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)Nc1nc(N)nc(n1)Cc1cc(F)cc(c1)F
Properties
Complexity:
465
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
338.109g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
338.322g/mol
Monoisotopic Mass:
338.109g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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