AG009SOD

104599-37-3 | 4,5-dibroMo-3-nitro-1H-pyrazole

AG009SOD

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CAS Number	104599-37-3
Catalog Number	AG009SOD(AGN-PC-0NVTYR)
Chemical Name	4,5-dibroMo-3-nitro-1H-pyrazole
IUPAC Name	3,4-dibromo-5-nitro-1H-pyrazole
InChI	InChI=1S/C3HBr2N3O2/c4-1-2(5)6-7-3(1)8(9)10/h(H,6,7)
InChI Key	OXDUHJKOCRBBCW-UHFFFAOYSA-N
MDL Number	MFCD20527262
Molecular Formula	C3HBr2N3O2
Molecular Weight	270.8669
SMILES	O=[N+](C1=C(Br)C(Br)=NN1)[O-]
Synonyms	3,4-Dibromo-5-nitro-1H-pyrazole, 104599-37-3, 4,5-dibromo-3-nitro-1H-pyrazole, SCHEMBL2929885, SCHEMBL15560478, DTXSID50547293, 3,4-dibromo-5-nitro-2H-pyrazole, ALBB-032341, MFCD20527262, QC-759, ZINC77011359, AKOS032963178, DS-4638, FCH1418303, AK110558, AX8225885, FT-0686287,

Complexity	149
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	270.842g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	270.868g/mol
Monoisotopic Mass	268.844g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	74.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.1

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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