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Home > Fluorides > 817170-70-0
817170-70-0 | 1-(2-Fluoro-4-(trifluoromethyl);phenyl);piperazine
CAS No: 817170-70-0 Catalog No: AG003DT4 MDL No:MFCD11872764
Product Description
Catalog Number:
AG003DT4
Chemical Name:
1-(2-Fluoro-4-(trifluoromethyl);phenyl);piperazine
CAS Number:
817170-70-0
Molecular Formula:
C11H12F4N2
Molecular Weight:
248.2200
MDL Number:
MFCD11872764
IUPAC Name:
1-[2-fluoro-4-(trifluoromethyl)phenyl]piperazine
InChI:
InChI=1S/C11H12F4N2/c12-9-7-8(11(13,14)15)1-2-10(9)17-5-3-16-4-6-17/h1-2,7,16H,3-6H2
InChI Key:
FJDNYOZEHRTOLO-UHFFFAOYSA-N
SMILES:
Fc1cc(ccc1N1CCNCC1)C(F)(F)F
Properties
Complexity:
250
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.094g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
248.225g/mol
Monoisotopic Mass:
248.094g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
15.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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