AG003A58

956477-67-1 | 4-Bromo-1-(difluoromethyl)-1H-pyrazole

AG003A58

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CAS Number	956477-67-1
Catalog Number	AG003A58(AGN-PC-0WAJTL)
Chemical Name	4-Bromo-1-(difluoromethyl)-1H-pyrazole
IUPAC Name	4-bromo-1-(difluoromethyl)pyrazole
InChI	InChI=1S/C4H3BrF2N2/c5-3-1-8-9(2-3)4(6)7/h1-2,4H
InChI Key	YZFOWGPIDPASFC-UHFFFAOYSA-N
MDL Number	MFCD11558132
Molecular Formula	C4H3BrF2N2
Molecular Weight	196.9808
SMILES	FC(N1N=CC(Br)=C1)F
Synonyms	4-Bromo-1-(difluoromethyl)-1H-pyrazole, 956477-67-1, 4-bromo-1-(difluoromethyl)pyrazole, C4H3BrF2N2, SCHEMBL17102326, DTXSID50652891, 6509AC, MFCD11558132, ZINC26510703, AKOS010259383, CS-W000404, MCULE-2225243865, SB12180, AJ-82521, F2147-7894, Z2106609772, 1188247-97-3,

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	0
Isotope Atom Count	0
Molecular Weight	196.983g/mol
Monoisotopic Mass	195.945g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	17.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H320-H335
Packing Group
Precautionary statements	P264-P270-P301+P312-P330
UN Code

Certificate of Analysis

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