AG004RE9

851087-08-6 | 5-Bromo-1-isopropylpyridin-2(1H)-one

AG004RE9

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CAS Number	851087-08-6
Catalog Number	AG004RE9(AGN-PC-07XTVI)
Chemical Name	5-Bromo-1-isopropylpyridin-2(1H)-one
IUPAC Name	5-bromo-1-propan-2-ylpyridin-2-one
InChI	InChI=1S/C8H10BrNO/c1-6(2)10-5-7(9)3-4-8(10)11/h3-6H,1-2H3
InChI Key	ULPBSLPRYWCIDD-UHFFFAOYSA-N
MDL Number	MFCD10699719
Molecular Formula	C8H10BrNO
Molecular Weight	216.0751
SMILES	O=C1C=CC(Br)=CN1C(C)C
Synonyms	5-Bromo-1-isopropylpyridin-2(1H)-one, 851087-08-6, 2(1H)-Pyridinone, 5-bromo-1-(1-methylethyl)-, 5-bromo-1-(propan-2-yl)-1,2-dihydropyridin-2-one, ACMC-209q4f, SCHEMBL506044, CTK5F4156, DTXSID90674471, ULPBSLPRYWCIDD-UHFFFAOYSA-N, 5-bromo-1-isopropyl-pyridin-2-one, ANW-38125, MFCD10699719, ZINC38537029, 5-bromo-1-isopropyl-2(1H)-pyridone, AKOS015834685, RTR-026623, SB21485, 5-Bromo-1-isopropyl-1H-pyridin-2-one, 5-bromo-1-isopropylpyridin -2(1H)-one, AJ-95815, AK-92196, CJ-19327, AX8230363, TR-026623, ST24023862, Z0888, 5-Bromo-1-(propan-2-yl)pyridin-2(1H)-one, B-4051, I14-24948, C8H10BrNO,

Complexity	230
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	214.995g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	216.078g/mol
Monoisotopic Mass	214.995g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	20.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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