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1620569-21-2 | 2-Pyrazinamine, 5-bromo-3-(1-piperazinyl)-, 2,2,2-trifluoroacetate (1:1)
CAS No: 1620569-21-2 Catalog No: AG001SOJ MDL No:MFCD28101751
Product Description
Catalog Number:
AG001SOJ
Chemical Name:
2-Pyrazinamine, 5-bromo-3-(1-piperazinyl)-, 2,2,2-trifluoroacetate (1:1)
CAS Number:
1620569-21-2
Molecular Formula:
C10H13BrF3N5O2
Molecular Weight:
372.1417
MDL Number:
MFCD28101751
IUPAC Name:
5-bromo-3-piperazin-1-ylpyrazin-2-amine;2,2,2-trifluoroacetic acid
InChI:
InChI=1S/C8H12BrN5.C2HF3O2/c9-6-5-12-7(10)8(13-6)14-3-1-11-2-4-14;3-2(4,5)1(6)7/h5,11H,1-4H2,(H2,10,12);(H,6,7)
InChI Key:
QCXDNSSIJVCODK-UHFFFAOYSA-N
SMILES:
OC(=O)C(F)(F)F.Nc1ncc(nc1N1CCNCC1)Br
Properties
Complexity:
268
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
371.02g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
372.146g/mol
Monoisotopic Mass:
371.02g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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