AG001AC6

1391268-61-3 | 4(1H)-Quinolinone, 5-bromo-2,3-dihydro-

AG001AC6

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CAS Number	1391268-61-3
Catalog Number	AG001AC6(AGN-PC-0JK1IF)
Chemical Name	4(1H)-Quinolinone, 5-bromo-2,3-dihydro-
IUPAC Name	5-bromo-2,3-dihydro-1H-quinolin-4-one
InChI	InChI=1S/C9H8BrNO/c10-6-2-1-3-7-9(6)8(12)4-5-11-7/h1-3,11H,4-5H2
InChI Key	ZVJZGPYDOMMMMA-UHFFFAOYSA-N
MDL Number	MFCD22426007
Molecular Formula	C9H8BrNO
Molecular Weight	226.0699
SMILES	O=C1CCNC2=C1C(Br)=CC=C2
Synonyms	5-BROMO-2,3-DIHYDROQUINOLIN-4(1H)-ONE, 1391268-61-3, 5-bromo-1,2,3,4-tetrahydroquinolin-4-one, SCHEMBL20571650, DTXSID40857272, MFCD22426007, ZINC82360186, AKOS025146664, AS-41329, SC-68168, AB0047700, 4(1H)-Quinolinone, 5-bromo-2,3-dihydro-, Z2065788332,

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-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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