AG008F27

854584-01-3 | 2(1H)-Quinoxalinone, 6-broMo-3,4-dihydro-

AG008F27

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CAS Number	854584-01-3
Catalog Number	AG008F27(AGN-PC-0H85DI)
Chemical Name	2(1H)-Quinoxalinone, 6-broMo-3,4-dihydro-
IUPAC Name	6-bromo-3,4-dihydro-1H-quinoxalin-2-one
InChI	InChI=1S/C8H7BrN2O/c9-5-1-2-6-7(3-5)10-4-8(12)11-6/h1-3,10H,4H2,(H,11,12)
InChI Key	AFHCUZXZHPMRQJ-UHFFFAOYSA-N
MDL Number	MFCD11036295
Molecular Formula	C8H7BrN2O
Molecular Weight	227.0580
SMILES	Brc1cc2c(cc1)NC(=O)CN2
Synonyms	6-Bromo-3,4-dihydroquinoxalin-2(1H)-one, 854584-01-3, 6-bromo-3,4-dihydro-1H-quinoxalin-2-one, CHEMBL3818063, 6-bromo-1,2,3,4-tetrahydroquinoxalin-2-one, SCHEMBL1119397, CTK8B8182, DTXSID80736017, AFHCUZXZHPMRQJ-UHFFFAOYSA-N, ANW-59564, BDBM50182408, MFCD11036295, ZINC76887631, AKOS016003826, ACN-001586, MCULE-7988633559, CS-12591, QC-11784, SY100547, AJ-122209, TC-148309, 4CH-023976, CS-0047641, V8102, 2(1H)-Quinoxalinone, 6-bromo-3,4-dihydro-, MFCD11036295 (95%), W-4310, C8H7BrN2O,

Complexity	198
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	225.974g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	227.061g/mol
Monoisotopic Mass	225.974g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	41.1A^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-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
Signal Words	warning
UN Code

Certificate of Analysis

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