AG00D8XR

54660-08-1 | 1-(4-FLUOROPHENYL)-2-PYRROLIDINONE

AG00D8XR

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CAS Number	54660-08-1
Catalog Number	AG00D8XR(AGN-PC-0K5WPW)
Chemical Name	1-(4-FLUOROPHENYL)-2-PYRROLIDINONE
IUPAC Name	1-(4-fluorophenyl)pyrrolidin-2-one
InChI	InChI=1S/C10H10FNO/c11-8-3-5-9(6-4-8)12-7-1-2-10(12)13/h3-6H,1-2,7H2
InChI Key	SZZJBOHBVUOQFP-UHFFFAOYSA-N
MDL Number	MFCD00138504
Molecular Formula	C10H10FNO
Molecular Weight	179.1909
SMILES	O=C1N(C2=CC=C(F)C=C2)CCC1
Synonyms	1-(4-fluorophenyl)pyrrolidin-2-one, 54660-08-1, 1-(4-Fluorophenyl)-2-pyrrolidinone, 1-(4-fluorophenyl)-2-pyrrolidone, AC1LSCPN, SCHEMBL1507158, CTK5A2138, DTXSID50363339, ALBB-031888, ZINC1399918, ZX-AP000730, 5393AE, CF-879, MFCD00138504, PC9696, SBB054204, 1-(4-Fluorophenyl)-2-oxopyrrolidine, 1-(4-Fluorophenyl)pyrrolidine-2-one, AKOS006220937, FCH2072582, MCULE-5013718018, AK324648, AN-25583, ZB017294, 1-Fluoro-4-(2-oxopyrrolidin-1-yl)benzene, AX8051112, FT-0605714, ST50405402, KS-00002067, 8C-080, K-9838, 1-(4-fluorophenyl)-2-pyrrolidinone, AldrichCPR, A830300, I14-91764, C10H10FNO, ZINC01399918, CID1485875,

Complexity	199
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	179.075g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	179.194g/mol
Monoisotopic Mass	179.075g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	20.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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