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139400-95-6 | 1,2,4-Triazine-3,5-diamine, 6-(4-amino-2,3-dichlorophenyl)-
CAS No: 139400-95-6 Catalog No: AG001AYR MDL No:
Product Description
Catalog Number:
AG001AYR
Chemical Name:
1,2,4-Triazine-3,5-diamine, 6-(4-amino-2,3-dichlorophenyl)-
CAS Number:
139400-95-6
Molecular Formula:
C9H8Cl2N6
Molecular Weight:
271.1060
IUPAC Name:
6-(4-amino-2,3-dichlorophenyl)-1,2,4-triazine-3,5-diamine
InChI:
InChI=1S/C9H8Cl2N6/c10-5-3(1-2-4(12)6(5)11)7-8(13)15-9(14)17-16-7/h1-2H,12H2,(H4,13,14,15,17)
InChI Key:
AHGKYVYNINQFMW-UHFFFAOYSA-N
SMILES:
Nc1nnc(c(n1)N)c1ccc(c(c1Cl)Cl)N
Properties
Complexity:
268
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.019g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
271.105g/mol
Monoisotopic Mass:
270.019g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
117A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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