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Home > Fluorides > 1170789-64-6
1170789-64-6 | Quinoline, 4-(1-piperazinyl)-2,8-bis(trifluoromethyl)-, hydrochloride (1:1)
CAS No: 1170789-64-6 Catalog No: AG000DOH MDL No:
Product Description
Catalog Number:
AG000DOH
Chemical Name:
Quinoline, 4-(1-piperazinyl)-2,8-bis(trifluoromethyl)-, hydrochloride (1:1)
CAS Number:
1170789-64-6
Molecular Formula:
C15H14ClF6N3
Molecular Weight:
385.7352
IUPAC Name:
4-piperazin-1-yl-2,8-bis(trifluoromethyl)quinoline;hydrochloride
InChI:
InChI=1S/C15H13F6N3.ClH/c16-14(17,18)10-3-1-2-9-11(24-6-4-22-5-7-24)8-12(15(19,20)21)23-13(9)10;/h1-3,8,22H,4-7H2;1H
InChI Key:
GGVLLJBKKREGLB-UHFFFAOYSA-N
SMILES:
FC(c1cc(N2CCNCC2)c2c(n1)c(ccc2)C(F)(F)F)(F)F.Cl
Properties
Complexity:
432
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
385.078g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
385.738g/mol
Monoisotopic Mass:
385.078g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
28.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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