AG000E8B

1174020-49-5 | 1-Pyrrolidinecarboxylic acid, 3-fluoro-4-hydroxy-, 1,1-dimethylethyl ester, (3R,4S)-

AG000E8B

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CAS Number	1174020-49-5
Catalog Number	AG000E8B(AGN-PC-0WCL7T)
Chemical Name	1-Pyrrolidinecarboxylic acid, 3-fluoro-4-hydroxy-, 1,1-dimethylethyl ester, (3R,4S)-
IUPAC Name	tert-butyl (3R,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+/m1/s1
InChI Key	KTBDFQPHEPDHQW-RQJHMYQMSA-N
MDL Number	MFCD23106143
Molecular Formula	C9H16FNO3
Molecular Weight	205.2266
SMILES	F[C@@H]1CN(C[C@@H]1O)C(=O)OC(C)(C)C
Synonyms	1174020-49-5, (3R,4S)-1-Boc-3-fluoro-4-hydroxypyrrolidine, tert-butyl (3r,4s)-3-fluoro-4-hydroxypyrrolidine-1-carboxylate, cis-tert-Butyl 3-fluoro-4-hydroxypyrrolidine-1-carboxylate, SCHEMBL13779827, KS-000007NY, MFCD23106143, ZINC71624114, PB36911, SB20921, AS-51833, cis (1-Boc)-3-fluoro-4-hydroxypyrrolidine, CS-0048559, Q-4103, tert-butyl (3R,4S)-3-fluoro-4-hydroxypyrrolidine-1-, tert-Butyl cis-3-fluoro-4-hydroxypyrrolidine-1-carboxylateracemate, Carboxylate, 1174020-48-4,

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
Hazard statements	H319-H315-H302-H335
Packing Group
Precautionary statements	P280-P260-P312
UN Code

Certificate of Analysis

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