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14960-90-8 | Piperazine, 1-(4-bromophenyl)-4-phenyl-
CAS No: 14960-90-8 Catalog No: AG001LV1 MDL No:
Product Description
Catalog Number:
AG001LV1
Chemical Name:
Piperazine, 1-(4-bromophenyl)-4-phenyl-
CAS Number:
14960-90-8
Molecular Formula:
C16H17BrN2
Molecular Weight:
317.2236
IUPAC Name:
1-(4-bromophenyl)-4-phenylpiperazine
InChI:
InChI=1S/C16H17BrN2/c17-14-6-8-16(9-7-14)19-12-10-18(11-13-19)15-4-2-1-3-5-15/h1-9H,10-13H2
InChI Key:
PBHXYBDLWFAJTL-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)N1CCN(CC1)c1ccccc1
Properties
Complexity:
262
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
316.058g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
317.23g/mol
Monoisotopic Mass:
316.058g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
6.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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