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Home > Fluorides > 179756-91-3
179756-91-3 | Pyrimidine, 2-(1-piperazinyl)-4-(trifluoromethyl)-
CAS No: 179756-91-3 Catalog No: AG00278B MDL No:MFCD00203912
Product Description
Catalog Number:
AG00278B
Chemical Name:
Pyrimidine, 2-(1-piperazinyl)-4-(trifluoromethyl)-
CAS Number:
179756-91-3
Molecular Formula:
C9H11F3N4
Molecular Weight:
232.2056
MDL Number:
MFCD00203912
IUPAC Name:
2-piperazin-1-yl-4-(trifluoromethyl)pyrimidine
InChI:
InChI=1S/C9H11F3N4/c10-9(11,12)7-1-2-14-8(15-7)16-5-3-13-4-6-16/h1-2,13H,3-6H2
InChI Key:
WBJVPAABGFBMJQ-UHFFFAOYSA-N
SMILES:
FC(c1ccnc(n1)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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