AG003I76

62235-61-4 | 3-(Bromomethyl)quinoxalin-2(1H)-one

AG003I76

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CAS Number	62235-61-4
Catalog Number	AG003I76(AGN-PC-0JP8PQ)
Chemical Name	3-(Bromomethyl)quinoxalin-2(1H)-one
IUPAC Name	3-(bromomethyl)-1H-quinoxalin-2-one
InChI	InChI=1S/C9H7BrN2O/c10-5-8-9(13)12-7-4-2-1-3-6(7)11-8/h1-4H,5H2,(H,12,13)
InChI Key	SOTAKCFOTFCVSS-UHFFFAOYSA-N
MDL Number	MFCD02660613
Molecular Formula	C9H7BrN2O
Molecular Weight	239.0687
NSC Number	144168
SMILES	BrCC1N=C2C=CC=CC2=NC1=O
Synonyms	62235-61-4, 3-Bromomethylquinoxalin-2-one, 3-(bromomethyl)quinoxalin-2-ol, 3-(Bromomethyl)-2-quinoxalinol, 3-Bromomethyl-2(1H)-Quinoxalinone, 3-(bromomethyl)-1H-quinoxalin-2-one, MFCD02660613, NSC144168, 2(1H)-Quinoxalinone, 3-(bromomethyl)-, 3-(bromomethyl)hydroquinoxalin-2-one, ACMC-20agnv, NSC 144168, AC1Q27NY, SCHEMBL681084, AC1L64T6, AC1Q69I6, CHEMBL1973412, CTK3J6479, CTK5I9914, DTXSID70211287, SOTAKCFOTFCVSS-UHFFFAOYSA-N, 3-(BROMOMETHYL)QUINOXALINE, ANW-72521, SBB054976, STK887678, ZINC16955532, 3-(bromomethyl)-2(1h)-quinoxalinone, AKOS001416032, AKOS002338749, 3-(Bromomethyl)quinoxaline-2(1H)-one, MCULE-3162543408, NSC-144168, RP05804, VZ34935, 2(1H)-Quinoxalinone,3-(bromomethyl)-, AJ-69803, AS-37049, NCI60_000965, 2-bromomethyl-3-oxo-3,4-dihydroquinoxaline, FT-0646395, ST50308787, Y9641, 3-(bromomethyl)-1,2-dihydroquinoxalin-2-one, 3-(Bromomethyl)quinoxaline-2(1H)-one, 90%, EN300-28768, 3-(Bromomethyl)-1,2-dihydro-2-oxoquinoxaline, X-3738, A833659, AN-829/25059007, I08-1149, J-510830, 3-(Bromomethyl)-1,2-dihydro-2-oxo-1,4-benzodiazine, 3-(bromomethyl)quinoxalin-2(1H)-one, C(Br)c1nc2ccccc2nc1O, C9H7BrN2O, AR-1E7412, CID286254, 2-methoxy-5-methylpyridin-3-ylboronic acid, 6266-79-1,

Complexity	252
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	237.974g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	239.072g/mol
Monoisotopic Mass	237.974g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	41.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code	\N

Certificate of Analysis

Lot Number