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Halogenated Heterocycles
2-(4-Boc-piperazinyl)-2-(3-fluorophenyl)acetic acid - ≥97%, high purity , CAS No.885272-91-3

2-(4-Boc-piperazinyl)-2-(3-fluorophenyl)acetic acid - ≥97%, high purity , CAS No.885272-91-3

Item Number

A700505

Grouped product items
SKU	Size	Availability	Price	Qty
A700505-50mg	50mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$865.90	+-

Basic Description

Specifications & Purity	≥97%

IUPAC Name	2-(3-fluorophenyl)-2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]acetic acid
INCHI	InChI=1S/C17H23FN2O4/c1-17(2,3)24-16(23)20-9-7-19(8-10-20)14(15(21)22)12-5-4-6-13(18)11-12/h4-6,11,14H,7-10H2,1-3H3,(H,21,22)
InChi Key	PPGHGFHJSQSOJP-UHFFFAOYSA-N
Canonical SMILES	CC(C)(C)OC(=O)N1CCN(CC1)C(C2=CC(=CC=C2)F)C(=O)O
Isomeric SMILES	CC(C)(C)OC(=O)N1CCN(CC1)C(C2=CC(=CC=C2)F)C(=O)O
WGK Germany	3
PubChem CID	2762219
Molecular Weight	338.37

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Molecular Weight	338.400 g/mol
XLogP3	0.000
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	5
Exact Mass	338.164 Da
Monoisotopic Mass	338.164 Da
Topological Polar Surface Area	70.100 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	458.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

WGK Germany	3
RIDADR	NONHforallmodesoftransport

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