AG0035TF

33693-57-1 | 3-Bromo-1-methylpyrrolidin-2-one

AG0035TF

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CAS Number	33693-57-1
Catalog Number	AG0035TF(AGN-PC-0NH9CA)
Chemical Name	3-Bromo-1-methylpyrrolidin-2-one
IUPAC Name	3-bromo-1-methylpyrrolidin-2-one
InChI	InChI=1S/C5H8BrNO/c1-7-3-2-4(6)5(7)8/h4H,2-3H2,1H3
InChI Key	NFFDSZJZQBYUKM-UHFFFAOYSA-N
MDL Number	MFCD16877739
Molecular Formula	C5H8BrNO
Molecular Weight	178.0271
SMILES	BrC1C(N(CC1)C)=O
Synonyms	3-Bromo-1-methylpyrrolidin-2-one, 33693-57-1, 2-Pyrrolidinone, 3-bromo-1-methyl-, 3-bromo-1-methyl-pyrrolidin-2-one, SCHEMBL991944, 3-bromo-N-methyl-2-pyrrolidone, 1-methyl-3-bromo-2-pyrrolidone, CTK1B8237, DTXSID60457899, NFFDSZJZQBYUKM-UHFFFAOYSA-N, 3-Bromo-1-methyl-2-pyrrolidinone, 1-Methyl-3-bromopyrrolidine-2-one, ALBB-030505, 0624AE, MFCD16877739, AKOS013029161, NE20847, (+/-)3-bromo-1-methyl-2-pyrrolidone, BS-12945, CS-0058369, EN300-77436, A1-03845, J-511823, F1905-0021, C5H8BrNO, 3-bromo-1-methyl-2-oxopyrrolidine, CID11182954,

Complexity	115
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	176.979g/mol
Formal Charge	0
Heavy Atom Count	8
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	178.029g/mol
Monoisotopic Mass	176.979g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	20.3A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	0.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	\N
Hazard statements	H302-H315-H319-H335
Packing Group	\N
Precautionary statements	P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
UN Code	\N

Certificate of Analysis

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