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130801-42-2 | 2,4-Pyrimidinediamine, 5-(2,3,5-trichlorophenyl)-
CAS No: 130801-42-2 Catalog No: AG000UYN MDL No:
Product Description
Catalog Number:
AG000UYN
Chemical Name:
2,4-Pyrimidinediamine, 5-(2,3,5-trichlorophenyl)-
CAS Number:
130801-42-2
Molecular Formula:
C10H7Cl3N4
Molecular Weight:
289.5484
IUPAC Name:
5-(2,3,5-trichlorophenyl)pyrimidine-2,4-diamine
InChI:
InChI=1S/C10H7Cl3N4/c11-4-1-5(8(13)7(12)2-4)6-3-16-10(15)17-9(6)14/h1-3H,(H4,14,15,16,17)
InChI Key:
WKJFILILEWPMQF-UHFFFAOYSA-N
SMILES:
Nc1ncc(c(n1)N)c1cc(Cl)cc(c1Cl)Cl
Properties
Complexity:
268
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
287.974g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
289.544g/mol
Monoisotopic Mass:
287.974g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
77.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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