AG00ELF2

62522-93-4 | N-(4-Fluorobenzoyl)-L-proline

AG00ELF2

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CAS Number	62522-93-4
Catalog Number	AG00ELF2(AGN-PC-0ODRNA)
Chemical Name	N-(4-Fluorobenzoyl)-L-proline
IUPAC Name	(2S)-1-(4-fluorobenzoyl)pyrrolidine-2-carboxylic acid
InChI	InChI=1S/C12H12FNO3/c13-9-5-3-8(4-6-9)11(15)14-7-1-2-10(14)12(16)17/h3-6,10H,1-2,7H2,(H,16,17)/t10-/m0/s1
InChI Key	LTUZWGRJHXDJQU-JTQLQIEISA-N
MDL Number	MFCD09757450
Molecular Formula	C12H12FNO3
Molecular Weight	237.2270
SMILES	O=C([C@H]1N(C(C2=CC=C(F)C=C2)=O)CCC1)O
Synonyms	(S)-1-(4-Fluorobenzoyl)pyrrolidine-2-carboxylic acid, 62522-93-4, N-(4-Fluorobenzoyl)-L-proline, SCHEMBL6290808, 1-(4-Fluorobenzoyl)-L-proline, CTK5B5234, DTXSID30494630, MFCD09757450, ZINC11890706, DS-4564, AJ-60364, ST2408244, F67201,

Complexity	313
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	237.08g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	237.23g/mol
Monoisotopic Mass	237.08g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	57.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.2

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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