AG003ACW

5932-20-7 | 3-bromo-4-methyl-1H-pyrazole

AG003ACW

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CAS Number	5932-20-7
Catalog Number	AG003ACW(AGN-PC-0OCVU3)
Chemical Name	3-bromo-4-methyl-1H-pyrazole
IUPAC Name	5-bromo-4-methyl-1H-pyrazole
InChI	InChI=1S/C4H5BrN2/c1-3-2-6-7-4(3)5/h2H,1H3,(H,6,7)
InChI Key	NIKFLRLLYKEJJK-UHFFFAOYSA-N
MDL Number	MFCD12755927
Molecular Formula	C4H5BrN2
Molecular Weight	160.9999
SMILES	CC1=CNN=C1Br
Synonyms	3-Bromo-4-methyl-1H-pyrazole, 5932-20-7, 5-bromo-4-methyl-1H-pyrazole, 1H-Pyrazole, 3-bromo-4-methyl-, SCHEMBL15924313, DTXSID70616930, NIKFLRLLYKEJJK-UHFFFAOYSA-N, KS-000004TU, MFCD12755927, ZINC91302178, AKOS016015108, PB11022, AK-68119, AS-34096, AJ-130306, CS-0035699, N/A,

Complexity	66.7
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	159.964g/mol
Formal Charge	0
Heavy Atom Count	7
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	161.002g/mol
Monoisotopic Mass	159.964g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	28.7A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.6

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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