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Home > Fluorides > 845616-55-9
845616-55-9 | 4-(1-Piperazinyl);-6-(trifluoromethyl);pyrimidine
CAS No: 845616-55-9 Catalog No: AG004UQ6 MDL No:MFCD11109804
Product Description
Catalog Number:
AG004UQ6
Chemical Name:
4-(1-Piperazinyl);-6-(trifluoromethyl);pyrimidine
CAS Number:
845616-55-9
Molecular Formula:
C9H11F3N4
Molecular Weight:
232.2056
MDL Number:
MFCD11109804
IUPAC Name:
4-piperazin-1-yl-6-(trifluoromethyl)pyrimidine
InChI:
InChI=1S/C9H11F3N4/c10-9(11,12)7-5-8(15-6-14-7)16-3-1-13-2-4-16/h5-6,13H,1-4H2
InChI Key:
QDKHOCPDMXKZCN-UHFFFAOYSA-N
SMILES:
FC(c1ncnc(c1)N1CCNCC1)(F)F
Properties
Complexity:
227
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.094g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
232.21g/mol
Monoisotopic Mass:
232.094g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
41A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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