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115762-33-9 | Piperazine, 1-(2-chloroethyl)-4-(2,4-difluorophenyl)-
CAS No: 115762-33-9 Catalog No: AG000GTQ MDL No:
Product Description
Catalog Number:
AG000GTQ
Chemical Name:
Piperazine, 1-(2-chloroethyl)-4-(2,4-difluorophenyl)-
CAS Number:
115762-33-9
Molecular Formula:
C12H15ClF2N2
Molecular Weight:
260.7107
IUPAC Name:
1-(2-chloroethyl)-4-(2,4-difluorophenyl)piperazine
InChI:
InChI=1S/C12H15ClF2N2/c13-3-4-16-5-7-17(8-6-16)12-2-1-10(14)9-11(12)15/h1-2,9H,3-8H2
InChI Key:
WHYSXRRCJYAVIL-UHFFFAOYSA-N
SMILES:
ClCCN1CCN(CC1)c1ccc(cc1F)F
Properties
Complexity:
235
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.089g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
260.713g/mol
Monoisotopic Mass:
260.089g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
6.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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