AG00DHV9

56015-31-7 | 3-Bromo-4,7-diazaindole

AG00DHV9

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CAS Number	56015-31-7
Catalog Number	AG00DHV9(AGN-PC-0NI2YS)
Chemical Name	3-Bromo-4,7-diazaindole
IUPAC Name	7-bromo-5H-pyrrolo[2,3-b]pyrazine
InChI	InChI=1S/C6H4BrN3/c7-4-3-10-6-5(4)8-1-2-9-6/h1-3H,(H,9,10)
InChI Key	BIVCAYYYCIWBLQ-UHFFFAOYSA-N
MDL Number	MFCD09834812
Molecular Formula	C6H4BrN3
Molecular Weight	198.0201
SMILES	BrC1=CNC2=NC=CN=C12
Synonyms	3-BROMO-4,7-DIAZAINDOLE, 56015-31-7, 7-bromo-5H-pyrrolo[2,3-b]pyrazine, CHEMBL3628248, 7-bromo-5H-pyrrolo[3,2-b]pyrazine, AK-23683, SCHEMBL545193, CTK5A4507, DTXSID80480462, BIVCAYYYCIWBLQ-UHFFFAOYSA-N, KS-000004YB, ANW-51489, BDBM50127014, FCH874045, MFCD09834812, ZINC38888031, AKOS006326215, CS-W019305, FS-3273, PB34440, RP08692, 7-bromanyl-5H-pyrrolo[2,3-b]pyrazine, AJ-97095, BR-23683, SC-53172, AB0025512, AX8085013, DB-072081, ST2410514, TR-019719, 4CH-015495, AM20070420, FT-0646329, W6987, 5H-PYRROLO[2,3-B]PYRAZINE, 7-BROMO-, C-8438, A830892, J-519152, C6H4BrN3,

Complexity	130
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	196.959g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	198.023g/mol
Monoisotopic Mass	196.959g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	41.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P280-P305+P351+P338-P310
UN Code

Certificate of Analysis

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