AG008U5N

1105187-44-7 | 4-(3-Bromophenyl)pyrrolidin-2-one

AG008U5N

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CAS Number	1105187-44-7
Catalog Number	AG008U5N(AGN-PC-01N69Q)
Chemical Name	4-(3-Bromophenyl)pyrrolidin-2-one
IUPAC Name	4-(3-bromophenyl)pyrrolidin-2-one
InChI	InChI=1S/C10H10BrNO/c11-9-3-1-2-7(4-9)8-5-10(13)12-6-8/h1-4,8H,5-6H2,(H,12,13)
InChI Key	OKCQAQCUYZLTCI-UHFFFAOYSA-N
MDL Number	MFCD11846198
Molecular Formula	C10H10BrNO
Molecular Weight	240.0965
SMILES	O=C1NCC(C2=CC=CC(Br)=C2)C1
Synonyms	4-(3-Bromophenyl)pyrrolidin-2-one, 1105187-44-7, AK-77912, W-204740, 1384268-55-6, CTK8B5288, KS-00000PLY, DTXSID30591698, 4-(3-bromophenyl)-2-Pyrrolidinone, ANW-48239, MFCD11846198, SC1221, AKOS015835956, FCH1406244, RP07214, RTC-068327, BR-77912, DS-17256, SC-34709, AB0034745, AX8224434, DB-060003, TC-068327, FT-0685766, ST24023139, X8946, S-7332, J-513367, F2147-3357, C10H10BrNO, (R)-4-(3-BROMOPHENYL)PYRROLIDIN-2-ONE, (S)-4-(3-BROMOPHENYL)PYRROLIDIN-2-ONE, 1384268-89-6,

Complexity	207
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	238.995g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	240.1g/mol
Monoisotopic Mass	238.995g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	29.1A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	1.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H317
Packing Group
Precautionary statements	P280
UN Code

Certificate of Analysis

Lot Number