AG003A5S

1451392-65-6 | 4-Bromo-3-(difluoromethyl)-1H-pyrazole

AG003A5S

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CAS Number	1451392-65-6
Catalog Number	AG003A5S(AGN-PC-0WAGXF)
Chemical Name	4-Bromo-3-(difluoromethyl)-1H-pyrazole
IUPAC Name	4-bromo-5-(difluoromethyl)-1H-pyrazole
InChI	InChI=1S/C4H3BrF2N2/c5-2-1-8-9-3(2)4(6)7/h1,4H,(H,8,9)
InChI Key	HWYWVZDJOQXJHH-UHFFFAOYSA-N
MDL Number	MFCD23704677
Molecular Formula	C4H3BrF2N2
Molecular Weight	196.9808
SMILES	BrC=1C(=NNC1)C(F)F
Synonyms	4-Bromo-5-(difluoromethyl)-1H-pyrazole, 1451392-65-6, MFCD23704677, ZINC95829787, AKOS024070860, FCH2329910, AK161409, PC400542, AJ-133955, AX8294353, CS-0036357, 4-bromo-5-(difluoromethyl)-1H-pyrazole, 95% - 1G 1g,

Complexity	101
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	195.945g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	196.983g/mol
Monoisotopic Mass	195.945g/mol
Rotatable Bond Count	1
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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