AG00I46W

21594-95-6 | Quinoxaline, 2-bromo-3-methyl-

AG00I46W

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CAS Number	21594-95-6
Catalog Number	AG00I46W(AGN-PC-0A9ZGY)
Chemical Name	Quinoxaline, 2-bromo-3-methyl-
IUPAC Name	2-bromo-3-methylquinoxaline
InChI	InChI=1S/C9H7BrN2/c1-6-9(10)12-8-5-3-2-4-7(8)11-6/h2-5H,1H3
InChI Key	YBJFSDXUCGYJSK-UHFFFAOYSA-N
MDL Number	MFCD16744170
Molecular Formula	C9H7BrN2
Molecular Weight	223.0693
SMILES	CC1=NC2=CC=CC=C2N=C1Br
Synonyms	2-bromo-3-methylquinoxaline, 21594-95-6, Quinoxaline, 2-bromo-3-methyl-, KS-00000DBK, 5473AJ, MFCD16744170, ZINC52099542, AKOS011661662, NE57847, CS-11994, SY034839, FT-0752954, EN300-80131, MFCD16744170 (95%), C9H7BrN2,

Complexity	163
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	221.979g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	223.073g/mol
Monoisotopic Mass	221.979g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	25.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
UN Code

Certificate of Analysis

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