AG00HHJZ

1241725-64-3 | 1-[(tert-butoxy)carbonyl]-5-fluoropiperidine-3-carboxylicacid

AG00HHJZ

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CAS Number	1241725-64-3
Catalog Number	AG00HHJZ(AGN-PC-0WBRH2)
Chemical Name	1-[(tert-butoxy)carbonyl]-5-fluoropiperidine-3-carboxylicacid
IUPAC Name	5-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid
InChI	InChI=1S/C11H18FNO4/c1-11(2,3)17-10(16)13-5-7(9(14)15)4-8(12)6-13/h7-8H,4-6H2,1-3H3,(H,14,15)
InChI Key	VMVJWQZJKYIFJE-UHFFFAOYSA-N
MDL Number	MFCD17015060
Molecular Formula	C11H18FNO4
Molecular Weight	247.2633
SMILES	C(C)(C)(C)OC(=O)N1CC(CC(C1)F)C(=O)O
Synonyms	1241725-64-3, 1-(TERT-BUTOXYCARBONYL)-5-FLUOROPIPERIDINE-3-CARBOXYLIC ACID, 1-(Boc)-5-Fluoropiperidine-3-carboxylic acid, AK204536, 1-tert-Butoxycarbonyl-5-fluoro-piperidine-3-carboxylic acid, SCHEMBL17922906, VMVJWQZJKYIFJE-UHFFFAOYSA-N, MFCD17015060, AKOS023601184, CS-W001355, FCH1622168, SB12494, PC430287, 1-[(tert-butoxy)carbonyl]-5-fluoropiperidine-3-carboxylic acid, 1-[(tert-butoxy)carbonyl]-5-fluoropiperidine-3-carboxylicacid, 5-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid,

Complexity	313
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	247.122g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	247.266g/mol
Monoisotopic Mass	247.122g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	66.8A^2
Undefined Atom Stereocenter Count	2
Undefined Bond Stereocenter Count	0
XLogP3	1.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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