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942474-02-4 | 2-(3-Bromo-4-fluorophenyl)piperazine
CAS No: 942474-02-4 Catalog No: AG01EZF8 MDL No:MFCD09475495
Product Description
Catalog Number:
AG01EZF8
Chemical Name:
2-(3-Bromo-4-fluorophenyl)piperazine
CAS Number:
942474-02-4
Molecular Formula:
C10H12BrFN2
Molecular Weight:
259.1181
MDL Number:
MFCD09475495
IUPAC Name:
2-(3-bromo-4-fluorophenyl)piperazine
InChI:
InChI=1S/C10H12BrFN2/c11-8-5-7(1-2-9(8)12)10-6-13-3-4-14-10/h1-2,5,10,13-14H,3-4,6H2
InChI Key:
OXNHARNZUDPFPY-UHFFFAOYSA-N
SMILES:
Fc1ccc(cc1Br)C1CNCCN1
Properties
Complexity:
191
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.017g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
259.122g/mol
Monoisotopic Mass:
258.017g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
24.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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