AG005TZ8

96449-92-2 | 1-(4-Chlorobenzyl)-5-oxopyrrolidine-3-carboxylic acid

AG005TZ8

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CAS Number	96449-92-2
Catalog Number	AG005TZ8(AGN-PC-0JVBCW)
Chemical Name	1-(4-Chlorobenzyl)-5-oxopyrrolidine-3-carboxylic acid
IUPAC Name	1-[(4-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxylic acid
InChI	InChI=1S/C12H12ClNO3/c13-10-3-1-8(2-4-10)6-14-7-9(12(16)17)5-11(14)15/h1-4,9H,5-7H2,(H,16,17)
InChI Key	TUZRKETZXNMRCF-UHFFFAOYSA-N
MDL Number	MFCD00084925
Molecular Formula	C12H12ClNO3
Molecular Weight	253.6816
SMILES	OC(C1CC(=O)N(CC2=CC=C(Cl)C=C2)C1)=O
Synonyms	1-(4-chlorobenzyl)-5-oxopyrrolidine-3-carboxylic acid, 96449-92-2, 1-[(4-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxylic acid, CHEMBL188253, 4-Carboxy-1-(4-Chlorobenzyl)Pyrrolidin-2-One, 1-(4-chlorobenzyl)-5-oxo-3-pyrrolidinecarboxylic acid, Maybridge1_007284, AC1MCA20, AC1Q74PA, Oprea1_491656, SCHEMBL4740663, CTK3I6417, HMS562D02, DTXSID00372299, TUZRKETZXNMRCF-UHFFFAOYSA-N, ALBB-018355, 6762AC, BBL022513, BDBM50154219, MFCD00084925, SBB053368, STL100231, AKOS000346536, AKOS016045148, BS-4679, MCULE-4463635066, VP60195, KS-00003I33, SC-55385, AB0107579, DB-018558, BB 0217900, FT-0605674, R2000, A845594, 1-(4-Chloro-benzyl)-5-oxo-pyrrolidine-3-carboxylic acid, 1-(4-CHLOROBENZYL)-5-OXOPYRROLIDINE-3-CARBOXYLIC A, 1-[(4-chlorophenyl)methyl]-5-oxo-3-pyrrolidinecarboxylic acid, 1-(4-chlorobenzyl)-5-oxopyrrolidine-3-carboxylic acid, AldrichCPR, 1-[(4-chlorophenyl)methyl]-5-oxo-pyrrolidine-3-carboxylic acid, 3-Pyrrolidinecarboxylic acid, 1-[(4-chlorophenyl)methyl]-5-oxo-, 3-Pyrrolidinecarboxylicacid, 1-[(4-chlorophenyl)methyl]-5-oxo-, 1-[(4-chlorophenyl)methyl]-5-oxidanylidene-pyrrolidine-3-carboxylic acid, C12H12ClNO3, CID2739200,

Complexity	313
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	253.051g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	253.682g/mol
Monoisotopic Mass	253.051g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	57.6A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	1.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H317-H319
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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