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102581-66-8 | 2-Pyrimidinamine, 4,6-bis(trifluoromethyl)-
CAS No: 102581-66-8 Catalog No: AG0007U0 MDL No:
Product Description
Catalog Number:
AG0007U0
Chemical Name:
2-Pyrimidinamine, 4,6-bis(trifluoromethyl)-
CAS Number:
102581-66-8
Molecular Formula:
C6H3F6N3
Molecular Weight:
231.0985
IUPAC Name:
4,6-bis(trifluoromethyl)pyrimidin-2-amine
InChI:
InChI=1S/C6H3F6N3/c7-5(8,9)2-1-3(6(10,11)12)15-4(13)14-2/h1H,(H2,13,14,15)
InChI Key:
IZLWXSHIFNVFDH-UHFFFAOYSA-N
SMILES:
Nc1nc(cc(n1)C(F)(F)F)C(F)(F)F
Properties
Complexity:
202
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.023g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
231.101g/mol
Monoisotopic Mass:
231.023g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
51.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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