4-Bromo-1-(difluoromethyl)-1H-pyrazole


Chemical Name: 4-Bromo-1-(difluoromethyl)-1H-pyrazole
CAS Number: 956477-67-1
Product Number: AG003A58(AGN-PC-0WAJTL)
Synonyms:
MDL No:
Molecular Formula: C4H3BrF2N2
Molecular Weight: 196.9808

Identification/Properties


Computed Properties
Molecular Weight:
196.983g/mol
XLogP3:
1.8
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
1
Exact Mass:
195.945g/mol
Monoisotopic Mass:
195.945g/mol
Topological Polar Surface Area:
17.8A^2
Heavy Atom Count:
9
Formal Charge:
0
Complexity:
101
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H302-H315-H320-H335
Precautionary Statements:
P264-P270-P301+P312-P330
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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