AG000E89

1174020-51-9 | 1-Pyrrolidinecarboxylic acid, 3-fluoro-4-hydroxy-, 1,1-dimethylethyl ester, (3S,4S)-

AG000E89

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CAS Number	1174020-51-9
Catalog Number	AG000E89(AGN-PC-0WD14O)
Chemical Name	1-Pyrrolidinecarboxylic acid, 3-fluoro-4-hydroxy-, 1,1-dimethylethyl ester, (3S,4S)-
IUPAC Name	tert-butyl (3S,4S)-3-fluoro-4-hydroxypyrrolidine-1-carboxylate
InChI	InChI=1S/C9H16FNO3/c1-9(2,3)14-8(13)11-4-6(10)7(12)5-11/h6-7,12H,4-5H2,1-3H3/t6-,7-/m0/s1
InChI Key	KTBDFQPHEPDHQW-BQBZGAKWSA-N
MDL Number	MFCD26793843
Molecular Formula	C9H16FNO3
Molecular Weight	205.2266
SMILES	F[C@H]1CN(C[C@@H]1O)C(=O)OC(C)(C)C
Synonyms	1174020-51-9, (3S,4S)-tert-Butyl 3-fluoro-4-hydroxypyrrolidine-1-carboxylate, 869481-93-6, TRANS-TERT-BUTYL 3-FLUORO-4-HYDROXYPYRROLIDINE-1-CARBOXYLATE, tert-butyl trans-3-fluoro-4-hydroxypyrrolidine-1-carboxylate, tert-butyl (3S,4S)-3-fluoro-4-hydroxypyrrolidine-1-carboxylate, (3,4)-TRANS-3-FLUORO-4-HYDROXY-PYRROLIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER, SCHEMBL951940, KTBDFQPHEPDHQW-BQBZGAKWSA-N, KS-000003NH, MFCD18791200, MFCD26793843, ZINC71624117, AKOS016011912, CS-W001660, FCH3944749, SB12864, AK123218, AK188002, AS-33674, AJ-118361, AX8247396, CS-0058578, trans-(1-Boc)-3-Fluoro-4-hydroxypyrrolidine, C-8549, (3S,4S)-(1-Boc)-3-Fluoro-4-hydroxypyrrolidine, J-524360, (3S,4S)-t-Butyl 3-fluoro-4-hydroxypyrrolidine-1-carboxylate, (3R,4S)-tert-butyl 3-fluoro-4-hydroxypyrrolidine-1-carboxylate, (3,4)-trans-3-FLUORO-4-HYDROXY-PYRROLIDINE-1-CARBOXYLICACIDTERT-BUTYLESTER, 1-Pyrrolidinecarboxylic acid, 3-fluoro-4-hydroxy-, 1,1-dimethylethyl ester, (3S,4R)-, tert-butyl (3R,4R)-3-fluoro-4-hydroxypyrrolidine-1-carboxylate, 1174020-48-4, 1174020-50-8,

Complexity	227
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Exact Mass	205.111g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	205.229g/mol
Monoisotopic Mass	205.111g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	49.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	9
Hazard statements	H301-H315-H319-H335-H411
Packing Group	Ⅲ
Precautionary statements	P261-P273-P301+P310-P305+P351+P338
UN Code	UN 3077

Certificate of Analysis

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