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116133-09-6 | Benzonitrile, 4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-
CAS No: 116133-09-6 Catalog No: AG000BPL MDL No:
Product Description
Catalog Number:
AG000BPL
Chemical Name:
Benzonitrile, 4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-
CAS Number:
116133-09-6
Molecular Formula:
C10H5Cl2N5
Molecular Weight:
266.0862
IUPAC Name:
4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]benzonitrile
InChI:
InChI=1S/C10H5Cl2N5/c11-8-15-9(12)17-10(16-8)14-7-3-1-6(5-13)2-4-7/h1-4H,(H,14,15,16,17)
InChI Key:
LQFONZHMHAEWFS-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)Nc1nc(Cl)nc(n1)Cl
Properties
Complexity:
286
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.992g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
266.085g/mol
Monoisotopic Mass:
264.992g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
74.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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