AG001535

1215071-17-2 | 1-Piperidinecarboxylic acid, 3,3-difluoro-4-oxo-, 1,1-diMethylethyl ester

AG001535

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CAS Number	1215071-17-2
Catalog Number	AG001535(AGN-PC-0O0BFH)
Chemical Name	1-Piperidinecarboxylic acid, 3,3-difluoro-4-oxo-, 1,1-diMethylethyl ester
IUPAC Name	tert-butyl 3,3-difluoro-4-oxopiperidine-1-carboxylate
InChI	InChI=1S/C10H15F2NO3/c1-9(2,3)16-8(15)13-5-4-7(14)10(11,12)6-13/h4-6H2,1-3H3
InChI Key	GDZBFUOJMJSIAZ-UHFFFAOYSA-N
MDL Number	MFCD19443979
Molecular Formula	C10H15F2NO3
Molecular Weight	235.2278
SMILES	CC(C)(C)OC(=O)N1CCC(=O)C(F)(F)C1
Synonyms	1215071-17-2, tert-Butyl 3,3-difluoro-4-oxopiperidine-1-carboxylate, MFCD16140378, tert-butyl3,3-difluoro-4-oxopiperidine-1-carboxylate, AK-76511, GDZBFUOJMJSIAZ-UHFFFAOYSA-N, ACMC-209abg, SCHEMBL518157, C10H15F2NO3, CTK8A9474, DTXSID30718464, KS-000026AH, PS-J-082, N-Boc-3,3-difluoropiperidin-4-one, ANW-17642, ZINC72194270, 1-Boc-3,3-difluoro-4-oxopiperidine, AKOS015950335, CS-W001338, FCH1622613, GS-6376, OC-0485, RP07262, SB20367, PC409039, SC-43725, AB0047341, AJ-119516, AX8222496, TX-017992, FT-0685890, K-1598, 1-tert-butyloxycarbonyl-3, 3-difluoro-4-oxopiperidine, 1-tert-butyloxycarbonyl-3,3-difluoro-4-oxopiperidine, tert-Butyl 3,3-difluoro-4-oxo-piperidine-1-carboxylate, 3,3-DIFLUORO-4-OXO-PIPERIDINE-1-CARBOXYLIC ACID TE, 3,3-Difluoro-4-oxopiperidine-1-carboxylic acid tert-butyl ester, 1-Piperidinecarboxylic acid, 3,3-difluoro-4-oxo-, 1,1-dimethylethyl ester, 3,3-DIFLUORO-4-OXO-PIPERIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER(Hydrate form), ACN-036741, tert-Butyl 3,3-difluoro-4-oxopiperidine-1-carboxylate hydrate, 1400264-85-8,

Complexity	310
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	235.102g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	235.231g/mol
Monoisotopic Mass	235.102g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	46.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.3

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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