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Home > Bromides > 1246078-72-7
1246078-72-7 | 1H-Pyrazole, 5-(2-bromo-5-fluorophenyl)-1-(1,1-dimethylethyl)-
CAS No: 1246078-72-7 Catalog No: AG000MGI MDL No:
Product Description
Catalog Number:
AG000MGI
Chemical Name:
1H-Pyrazole, 5-(2-bromo-5-fluorophenyl)-1-(1,1-dimethylethyl)-
CAS Number:
1246078-72-7
Molecular Formula:
C13H14BrFN2
Molecular Weight:
297.1661
IUPAC Name:
5-(2-bromo-5-fluorophenyl)-1-tert-butylpyrazole
InChI:
InChI=1S/C13H14BrFN2/c1-13(2,3)17-12(6-7-16-17)10-8-9(15)4-5-11(10)14/h4-8H,1-3H3
InChI Key:
FYNOJFYRUNFUFX-UHFFFAOYSA-N
SMILES:
Fc1ccc(c(c1)c1ccnn1C(C)(C)C)Br
Properties
Complexity:
267
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
296.032g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
297.171g/mol
Monoisotopic Mass:
296.032g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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