1-(4-Bromo-2-fluorobenzyl)piperazine - CAS 870703-75-6

Catalog:	BB038203
Product Name:	1-(4-Bromo-2-fluorobenzyl)piperazine
CAS:	870703-75-6
Synonyms:	1-[(4-bromo-2-fluorophenyl)methyl]piperazine

Technical Data

Patents

Computed Properties

IUPAC Name:	1-[(4-bromo-2-fluorophenyl)methyl]piperazine
Description:	1-(4-Bromo-2-fluorobenzyl)piperazine (CAS# 870703-75-6 ) is a useful research chemical.
Molecular Weight:	273.14
Molecular Formula:	C11H14BrFN2
Canonical SMILES:	C1CN(CCN1)CC2=C(C=C(C=C2)Br)F
InChI:	InChI=1S/C11H14BrFN2/c12-10-2-1-9(11(13)7-10)8-15-5-3-14-4-6-15/h1-2,7,14H,3-6,8H2
InChI Key:	NRCBEINBLSTDHM-UHFFFAOYSA-N
Boiling Point:	120-122 °C / 0.02 mmHg
Density:	1.411 g/mL at 25 °C
Appearance:	Yellow to orange liquid
MDL:	MFCD07368744
LogP:	2.26010

Publication Number	Title	Priority Date
WO-2019194769-A2	Anti cancer and anti tyrosinase activities of kojic acid derived compounds	20171212
CA-2807206-A1	Formulations for infusion of type b lantibiotics	20100811
CN-103108628-A	Formulations for infusion of type B lantibiotics	20100811
CN-103108628-B	For the preparation of infusion Type B lantibiotics	20100811
EA-024344-B1	Formulations for infusion of type b lantibiotics	20100811

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Complexity:	197
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	272.03244
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	272.03244
Rotatable Bond Count:	2
Topological Polar Surface Area:	15.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.9