Home Halogens 3-(bromodifluoromethyl)-1-methyl-1H-pyrazole

3-(bromodifluoromethyl)-1-methyl-1H-pyrazole

CAS No.:
2060041-54-3
Catalog Number:
AG01BOQY
Molecular Formula:
C5H5BrF2N2
Molecular Weight:
211.0074
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Product Description
Catalog Number:
AG01BOQY
Chemical Name:
3-(bromodifluoromethyl)-1-methyl-1H-pyrazole
CAS Number:
2060041-54-3
Molecular Formula:
C5H5BrF2N2
Molecular Weight:
211.0074
MDL Number:
MFCD30499456
IUPAC Name:
3-[bromo(difluoro)methyl]-1-methylpyrazole
InChI:
InChI=1S/C5H5BrF2N2/c1-10-3-2-4(9-10)5(6,7)8/h2-3H,1H3
InChI Key:
RMFNCXQJNQULBS-UHFFFAOYSA-N
SMILES:
FC(c1ccn(n1)C)(Br)F
Properties
Complexity:
131  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.96g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
211.01g/mol
Monoisotopic Mass:
209.96g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
17.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Properties