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Home > Fluorides > 827322-85-0
827322-85-0 | Piperazine, 1-cyano-4-[4-(trifluoromethyl)phenyl]-
CAS No: 827322-85-0 Catalog No: AG00586V MDL No:
Product Description
Catalog Number:
AG00586V
Chemical Name:
Piperazine, 1-cyano-4-[4-(trifluoromethyl)phenyl]-
CAS Number:
827322-85-0
Molecular Formula:
C12H12F3N3
Molecular Weight:
255.2390
IUPAC Name:
4-[4-(trifluoromethyl)phenyl]piperazine-1-carbonitrile
InChI:
InChI=1S/C12H12F3N3/c13-12(14,15)10-1-3-11(4-2-10)18-7-5-17(9-16)6-8-18/h1-4H,5-8H2
InChI Key:
KBCBWAQCIOCFTD-UHFFFAOYSA-N
SMILES:
N#CN1CCN(CC1)c1ccc(cc1)C(F)(F)F
Properties
Complexity:
317
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.098g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
255.244g/mol
Monoisotopic Mass:
255.098g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
30.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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