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131468-33-2 | 1,3,5-Triazin-2-amine, 4,6-dichloro-N-(4-fluorophenyl)-
CAS No: 131468-33-2 Catalog No: AG000W8M MDL No:
Product Description
Catalog Number:
AG000W8M
Chemical Name:
1,3,5-Triazin-2-amine, 4,6-dichloro-N-(4-fluorophenyl)-
CAS Number:
131468-33-2
Molecular Formula:
C9H5Cl2FN4
Molecular Weight:
259.0672
IUPAC Name:
4,6-dichloro-N-(4-fluorophenyl)-1,3,5-triazin-2-amine
InChI:
InChI=1S/C9H5Cl2FN4/c10-7-14-8(11)16-9(15-7)13-6-3-1-5(12)2-4-6/h1-4H,(H,13,14,15,16)
InChI Key:
GVFNRSSFMJILLU-UHFFFAOYSA-N
SMILES:
Fc1ccc(cc1)Nc1nc(Cl)nc(n1)Cl
Properties
Complexity:
216
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.988g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
259.065g/mol
Monoisotopic Mass:
257.988g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
50.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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