AG000R0I

1260665-49-3 | 5H-Pyrrolo[2,3-b]pyrazine, 3-bromo-

AG000R0I

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CAS Number	1260665-49-3
Catalog Number	AG000R0I(AGN-PC-0BSYUB)
Chemical Name	5H-Pyrrolo[2,3-b]pyrazine, 3-bromo-
IUPAC Name	3-bromo-5H-pyrrolo[2,3-b]pyrazine
InChI	InChI=1S/C6H4BrN3/c7-5-3-9-4-1-2-8-6(4)10-5/h1-3H,(H,8,10)
InChI Key	JOCWQJGZBIFQLM-UHFFFAOYSA-N
MDL Number	MFCD18250185
Molecular Formula	C6H4BrN3
Molecular Weight	198.0201
SMILES	BrC1=CN=C2C(NC=C2)=N1
Synonyms	3-BROMO-5H-PYRROLO[2,3-B]PYRAZINE, 1260665-49-3, SCHEMBL12847281, DTXSID70725531, JOCWQJGZBIFQLM-UHFFFAOYSA-N, MFCD18250185, ZINC72194109, AKOS015949472, FCH1178933, PB16748, RP08689, KS-0000084V, AK170523, QC-10873, AX8219839, CS-0029658, FT-0684925, 5H-PYRROLO[2,3-B]PYRAZINE, 3-BROMO-, C-8260, J-512023,

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	1.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H317
Packing Group
Precautionary statements	P280
UN Code

Certificate of Analysis

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