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198707-65-2 | Piperazine, 1-[(2-bromophenyl)methyl]-4-phenyl-
CAS No: 198707-65-2 Catalog No: AG002BP3 MDL No:
Product Description
Catalog Number:
AG002BP3
Chemical Name:
Piperazine, 1-[(2-bromophenyl)methyl]-4-phenyl-
CAS Number:
198707-65-2
Molecular Formula:
C17H19BrN2
Molecular Weight:
331.2502
IUPAC Name:
1-[(2-bromophenyl)methyl]-4-phenylpiperazine
InChI:
InChI=1S/C17H19BrN2/c18-17-9-5-4-6-15(17)14-19-10-12-20(13-11-19)16-7-2-1-3-8-16/h1-9H,10-14H2
InChI Key:
QDSUWCFUDBSVMO-UHFFFAOYSA-N
SMILES:
Brc1ccccc1CN1CCN(CC1)c1ccccc1
Properties
Complexity:
283
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
330.073g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
331.257g/mol
Monoisotopic Mass:
330.073g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
6.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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