AG003BPN

426844-77-1 | (2S,4S)-4-Fluoropyrrolidine-2-carbonitrile Hydrochloride

AG003BPN

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CAS Number	426844-77-1
Catalog Number	AG003BPN(AGN-PC-0WAFSJ)
Chemical Name	(2S,4S)-4-Fluoropyrrolidine-2-carbonitrile Hydrochloride
IUPAC Name	(2S,4S)-4-fluoropyrrolidine-2-carbonitrile;hydrochloride
InChI	InChI=1S/C5H7FN2.ClH/c6-4-1-5(2-7)8-3-4;/h4-5,8H,1,3H2;1H/t4-,5-;/m0./s1
InChI Key	OLZBUMFLINUMEV-FHAQVOQBSA-N
MDL Number	MFCD28014566
Molecular Formula	C5H8ClFN2
Molecular Weight	150.5818
SMILES	N#C[C@H]1NC[C@@H](F)C1.[H]Cl
Synonyms	(2S,4S)-4-Fluoropyrrolidine-2-carbonitrile Hydrochloride, 426844-77-1, SCHEMBL1153672, OLZBUMFLINUMEV-FHAQVOQBSA-N, KS-00000E0V, MFCD28014566, AKOS027256954, CS-11755, CS-0053411, (2S,4S)-4-Fluoropyrrolidine-2-carbonitrile HCl, (2S,4S)-2-cyano-4-fluoropyrrolidine hydrochloride, (2S,4S)-4-Fluoropyrrolidine-2-carbonitrileHydrochloride,

Complexity	126
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Exact Mass	150.036g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	150.581g/mol
Monoisotopic Mass	150.036g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	35.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

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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