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1400764-19-3 | Pyrazolo[1,5-a]pyrimidin-3-amine, 2,2,2-trifluoroacetate (1:1)
CAS No: 1400764-19-3 Catalog No: AG001BZZ MDL No:MFCD22421658
Product Description
Catalog Number:
AG001BZZ
Chemical Name:
Pyrazolo[1,5-a]pyrimidin-3-amine, 2,2,2-trifluoroacetate (1:1)
CAS Number:
1400764-19-3
Molecular Formula:
C8H7F3N4O2
Molecular Weight:
248.1620
MDL Number:
MFCD22421658
IUPAC Name:
pyrazolo[1,5-a]pyrimidin-3-amine;2,2,2-trifluoroacetic acid
InChI:
InChI=1S/C6H6N4.C2HF3O2/c7-5-4-9-10-3-1-2-8-6(5)10;3-2(4,5)1(6)7/h1-4H,7H2;(H,6,7)
InChI Key:
JQZWCZNMIHSYKY-UHFFFAOYSA-N
SMILES:
OC(=O)C(F)(F)F.Nc1cnn2c1nccc2
Properties
Complexity:
210
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.052g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
248.165g/mol
Monoisotopic Mass:
248.052g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
93.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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