AG005EV7

76228-06-3 | 6-Bromo-2,3-dihydroquinolin-4(1H)-one

AG005EV7

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CAS Number	76228-06-3
Catalog Number	AG005EV7(AGN-PC-0JW0DO)
Chemical Name	6-Bromo-2,3-dihydroquinolin-4(1H)-one
IUPAC Name	6-bromo-2,3-dihydro-1H-quinolin-4-one
InChI	InChI=1S/C9H8BrNO/c10-6-1-2-8-7(5-6)9(12)3-4-11-8/h1-2,5,11H,3-4H2
InChI Key	WAFBCQPOMZIGTJ-UHFFFAOYSA-N
MDL Number	MFCD00600620
Molecular Formula	C9H8BrNO
Molecular Weight	226.0699
SMILES	BrC2=CC=C1NCCC(C1=C2)=O
Synonyms	6-BROMO-2,3-DIHYDROQUINOLIN-4(1H)-ONE, 76228-06-3, 6-bromo-1,2,3,4-tetrahydroquinolin-4-one, 6-Bromo-2,3-dihydro-1H-quinolin-4-one, BAS 00087640, AC1LFT1U, Oprea1_166254, Oprea1_265034, SCHEMBL3015932, CTK5E2616, KS-00000HHB, DTXSID50353957, WAFBCQPOMZIGTJ-UHFFFAOYSA-N, ZINC226106, ANW-50759, MFCD00600620, AKOS015834555, AB06523, CM10830, FS-2817, MCULE-6792843742, AJ-18071, AK-24973, BR-24973, CJ-02552, SY107822, 4(1H)-Quinolinone,6-bromo-2,3-dihydro-, AB0026616, ST2412202, TR-024432, 4CH-008085, 6-bromo-1,2,3,4-tetrahydroquinoline-4-one, 6-bromo-4-oxo-1,2,3,4-tetrahydroquinoline, FT-0648707, W8321, MFCD00600620 (97%), S-6972, SR-01000389551, 4(1H)-QUINOLINONE, 6-BROMO-2,3-DIHYDRO-, SR-01000389551-1, Z1741974482, C9H8BrNO, CID759447, 935845-20-8,

Complexity	195
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	224.979g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	226.073g/mol
Monoisotopic Mass	224.979g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	29.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

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