AG003905

104599-36-2 | 3,5-DIBROMO-4-NITRO-1H-PYRAZOLE

AG003905

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CAS Number	104599-36-2
Catalog Number	AG003905(AGN-PC-00NNHF)
Chemical Name	3,5-DIBROMO-4-NITRO-1H-PYRAZOLE
IUPAC Name	3,5-dibromo-4-nitro-1H-pyrazole
InChI	InChI=1S/C3HBr2N3O2/c4-2-1(8(9)10)3(5)7-6-2/h(H,6,7)
InChI Key	HUEFSFAVCVCTAX-UHFFFAOYSA-N
MDL Number	MFCD09972275
Molecular Formula	C3HBr2N3O2
Molecular Weight	270.8669
SMILES	BrC1=NNC(=C1[N+](=O)[O-])Br
Synonyms	3,5-Dibromo-4-nitro-1H-pyrazole, 104599-36-2, 3,5-Dibromo-4-nitropyrazole, 1H-Pyrazole,3,5-dibromo-4-nitro-, 1H-Pyrazole, 3,5-dibromo-4-nitro-, dibromonitropyrazole, KSC503C5N, ACMC-209x23, SCHEMBL1026841, CTK4A3156, DTXSID90547292, HUEFSFAVCVCTAX-UHFFFAOYSA-N, KS-00000NE5, ANW-47113, MFCD09972275, SBB054447, ZINC14007756, AKOS005073758, CS-W006255, MCULE-6736372315, NB-0819, RP15142, RTR-001008, AJ-64681, AK-47702, BR-47702, CJ-14486, AB0034548, ST2417266, TR-001008, 4CH-015418, FT-0681240, X8720, S-2997, J-511264, I14-26189, C3HBr2N3O2, ACN-054484, A1921, 3,5-Dibromo-4-nitro-1H-pyrazole, 97% - 1G 1g,

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-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

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