AG003BPM

426844-76-0 | 1-Boc-(2S,4S)-2-cyano-4-fluoropyrrolidine

AG003BPM

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CAS Number	426844-76-0
Catalog Number	AG003BPM(AGN-PC-0WA1XJ)
Chemical Name	1-Boc-(2S,4S)-2-cyano-4-fluoropyrrolidine
IUPAC Name	tert-butyl (2S,4S)-2-cyano-4-fluoropyrrolidine-1-carboxylate
InChI	InChI=1S/C10H15FN2O2/c1-10(2,3)15-9(14)13-6-7(11)4-8(13)5-12/h7-8H,4,6H2,1-3H3/t7-,8-/m0/s1
InChI Key	QAKRZINKSNCLEV-YUMQZZPRSA-N
MDL Number	MFCD09263600
Molecular Formula	C10H15FN2O2
Molecular Weight	214.2367
SMILES	CC(C)(C)OC(=O)N1C[C@@H](F)C[C@H]1C#N
Synonyms	426844-76-0, (2S,4S)-tert-Butyl 2-cyano-4-fluoropyrrolidine-1-carboxylate, (2S,4S)-1-Boc-2-cyano-4-fluoropyrrolidine, 1-Boc-(2S,4S)-2-cyano-4-fluoropyrrolidine, tert-butyl (2s,4s)-2-cyano-4-fluoropyrrolidine-1-carboxylate, N-Boc-cis-4-fluoro-L-prolinonitrile, C10H15FN2O2, AK-76449, PubChem19126, SCHEMBL3393660, CTK8C4399, DTXSID90594009, QAKRZINKSNCLEV-YUMQZZPRSA-N, 5892AB, ANW-71750, MFCD09263600, ZINC12359427, AKOS015904630, cis-1-Boc-2-cyano-4-fluoropyrrolidine, FCH3604500, FCH3904568, OC-0275, AJ-61502, DS-16681, PC409010, AB0060173, AX8174197, RT-006204, CS-0039844, FT-0084798, ST24034187, K-8844, N-t-BOC-cis-4-Fluoro-L-prolinonitrile, AldrichCPR, I14-17307, 1-tert-butyl (2S,4S)-2-cyano-4-fluoropyrrolidine-1-carboxylate, (2S)-1-(tert-Butoxycarbonyl)-4alpha-fluoropyrrolidine-2alpha-carbonitrile, 1-Boc- -2-cyano-4-fluoropyrrolidine,

Complexity	302
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Exact Mass	214.112g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	214.24g/mol
Monoisotopic Mass	214.112g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	53.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H317
Packing Group
Precautionary statements	P280
UN Code	\N

Certificate of Analysis

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