AG003E1X

614731-04-3 | 1-Boc-4-Fluoropiperidine-4-carboxylic acid

AG003E1X

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CAS Number	614731-04-3
Catalog Number	AG003E1X(AGN-PC-056LK0)
Chemical Name	1-Boc-4-Fluoropiperidine-4-carboxylic acid
IUPAC Name	4-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid
InChI	InChI=1S/C11H18FNO4/c1-10(2,3)17-9(16)13-6-4-11(12,5-7-13)8(14)15/h4-7H2,1-3H3,(H,14,15)
InChI Key	NRQOTEPIFSRDMH-UHFFFAOYSA-N
MDL Number	MFCD08062530
Molecular Formula	C11H18FNO4
Molecular Weight	247.2633
SMILES	CC(C)(C)OC(=O)N1CCC(F)(CC1)C(O)=O
Synonyms	614731-04-3, 1-Boc-4-fluoro-4-piperidinecarboxylic Acid, 1-Boc-4-Fluoropiperidine-4-carboxylic acid, 1-(tert-butoxycarbonyl)-4-fluoropiperidine-4-carboxylic acid, 1-[(tert-butoxy)carbonyl]-4-fluoropiperidine-4-carboxylic acid, EN300-82590, PubChem23027, SCHEMBL1476380, CTK5B3291, DTXSID40610344, NRQOTEPIFSRDMH-UHFFFAOYSA-N, HT784, ZX-AP012414, ANW-72265, MFCD08062530, ZINC14984838, AKOS005265033, AC-3334, ACN-039391, CB-4049, CS-W001605, FCH1620001, PB22122, TRA0085516, AJ-66234, AK-45298, AN-13080, AS-18022, PC400525, SC-21885, SY004467, AB0063368, AB1000122, AX8057158, DB-003151, TC-161010, 4CH-003481, AM20100498, FT-0690048, ST24037819, V6906, 1-N-Boc-4-fluoro-4-piperidinecarboxylic acid, A23146, Q-1913, MFCD08062530 (97+%), 1-BOC-4-FLUORO-4-PIPERIDINECARBOXYLICACID, I04-1528, 1-Boc-4-fluoro-4-piperidinecarboxylic acid, AldrichCPR, 1-tert-butoxycarbonyl-4-fluoro-piperidine-4-carboxylic acid, 1-{[(1,1-dimethylethyl)oxy]carbonyl}-4-fluoro-4-piperidinecarboxylic acid, 4-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid, 4-FLUORO-PIPERIDINE-1,4-DICARBOXYLIC ACID MONO-TERT-BUTYL ESTER, 614731-04-3 1-(tert-butoxycarbonyl)-4-fluoropiperidine-4-carboxylic acid, null, C11H18FNO4,

Complexity	316
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	0
Undefined Bond Stereocenter Count	0
XLogP3	1.4

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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