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163594-36-3 | Piperazine, 1-(2-bromoethyl)-4-(3-chlorophenyl)-
CAS No: 163594-36-3 Catalog No: AG001U94 MDL No:
Product Description
Catalog Number:
AG001U94
Chemical Name:
Piperazine, 1-(2-bromoethyl)-4-(3-chlorophenyl)-
CAS Number:
163594-36-3
Molecular Formula:
C12H16BrClN2
Molecular Weight:
303.6258
IUPAC Name:
1-(2-bromoethyl)-4-(3-chlorophenyl)piperazine
InChI:
InChI=1S/C12H16BrClN2/c13-4-5-15-6-8-16(9-7-15)12-3-1-2-11(14)10-12/h1-3,10H,4-9H2
InChI Key:
KQGRBQIJEWWPLC-UHFFFAOYSA-N
SMILES:
BrCCN1CCN(CC1)c1cccc(c1)Cl
Properties
Complexity:
207
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
302.019g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
303.628g/mol
Monoisotopic Mass:
302.019g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
6.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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