AG00C6UC

40557-20-8 | 3-Bromopyrrolidin-2-one

AG00C6UC

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CAS Number	40557-20-8
Catalog Number	AG00C6UC(AGN-PC-0MYTCE)
Chemical Name	3-Bromopyrrolidin-2-one
IUPAC Name	3-bromopyrrolidin-2-one
InChI	InChI=1S/C4H6BrNO/c5-3-1-2-6-4(3)7/h3H,1-2H2,(H,6,7)
InChI Key	GVPDRYJFYUWXQK-UHFFFAOYSA-N
MDL Number	MFCD18886531
Molecular Formula	C4H6BrNO
Molecular Weight	164.0005
SMILES	O=C1NCCC1Br
Synonyms	3-bromopyrrolidin-2-one, 40557-20-8, 3-bromo-pyrrolidin-2-one, 2-Pyrrolidinone, 3-bromo-, 3-bromo-2-pyrrolidone, 3-Bromopyrrolidine-2-one, SCHEMBL860303, CTK8D4021, DTXSID10435581, GVPDRYJFYUWXQK-UHFFFAOYSA-N, MFCD18886531, AKOS013102233, BS-12758, QC-10892, AB0092514, TC-069938, ST24041980, F1905-0516, CID10103471, 3-bromopyrrolidin-2-one, 95% - 1G 1g,

Complexity	93.7
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	162.963g/mol
Formal Charge	0
Heavy Atom Count	7
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	164.002g/mol
Monoisotopic Mass	162.963g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	29.1A^2
Undefined Atom Stereocenter Count	2
Undefined Bond Stereocenter Count	0
XLogP3	0.5

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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