AG003CMQ

72479-05-1 | 2-​Pyrrolidinone, 5-​(bromomethyl)​-​, (5S)​-

AG003CMQ

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CAS Number	72479-05-1
Catalog Number	AG003CMQ(AGN-PC-0WA2ZP)
Chemical Name	2-​Pyrrolidinone, 5-​(bromomethyl)​-​, (5S)​-
IUPAC Name	(5S)-5-(bromomethyl)pyrrolidin-2-one
InChI	InChI=1S/C5H8BrNO/c6-3-4-1-2-5(8)7-4/h4H,1-3H2,(H,7,8)/t4-/m0/s1
InChI Key	QFOSFXPTXNRRMF-BYPYZUCNSA-N
MDL Number	MFCD07369776
Molecular Formula	C5H8BrNO
Molecular Weight	178.0271
SMILES	C(Br)[C@H]1NC(=O)CC1
Synonyms	72479-05-1, (S)-(+)-5-Bromomethyl-2-pyrrolidinone, (S)-5-(Bromomethyl)-2-pyrrolidinone, (S)-5-(bromomethyl)pyrrolidin-2-one, (5S)-5-(bromomethyl)pyrrolidin-2-one, (S)-5-Bromomethyl-2-oxopyrrolidine, (5S)-5-(bromomethyl)-2-pyrrolidinone, (S)-5-(BROMOMETHYL)-2-PYRROLIDONE, PubChem13850, KSC496I9F, SCHEMBL378495, CTK3J6492, DTXSID30459385, QFOSFXPTXNRRMF-BYPYZUCNSA-N, (S)-5-Bromomethyl-2-pyrrolidinone, ACT04370, CS-B0460, KS-00000LP5, ZINC4202266, ANW-46659, MFCD01632456, RW3923, 5beta-(Bromomethyl)pyrrolidine-2-one, AKOS015833846, (2-pyrrolidon-5-(S)-yl)methylbromide, CB-3117, RTC-071114, AJ-48341, AN-10751, BC003815, DS-13486, SC-23748, DB-011657, ST2402698, TC-071114, FT-0659291, W8109, (S)-5-(Bromomethyl)-2-pyrrolidinone, 96%, B42875, 479B051, A837537, C5H8BrNO, -5- -2-PYRROLIDINONE, 5-(bromomethyl)pyrrolidin-2-one, CID11229111, 2-Pyrrolidinone, 5-(bromomethyl)-, (5S)- (9CI), (S)-( )-5-Bromomethyl-2-pyrrolidinone, 97% - 1G 1g,

Complexity	105
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
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	1
Isotope Atom Count	0
Molecular Weight	178.029g/mol
Monoisotopic Mass	176.979g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	29.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H317-H319
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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