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1245643-25-7 | 1H-Pyrazole, 5-(2-bromo-5-fluorophenyl)-1-(1,1-dimethylethyl)-4-iodo-
CAS No: 1245643-25-7 Catalog No: AG000M8C MDL No:MFCD14706704
Product Description
Catalog Number:
AG000M8C
Chemical Name:
1H-Pyrazole, 5-(2-bromo-5-fluorophenyl)-1-(1,1-dimethylethyl)-4-iodo-
CAS Number:
1245643-25-7
Molecular Formula:
C13H13BrFIN2
Molecular Weight:
423.0626
MDL Number:
MFCD14706704
IUPAC Name:
5-(2-bromo-5-fluorophenyl)-1-tert-butyl-4-iodopyrazole
InChI:
InChI=1S/C13H13BrFIN2/c1-13(2,3)18-12(11(16)7-17-18)9-6-8(15)4-5-10(9)14/h4-7H,1-3H3
InChI Key:
WGWGNEHGEINCNJ-UHFFFAOYSA-N
SMILES:
Fc1ccc(c(c1)c1c(I)cnn1C(C)(C)C)Br
Properties
Complexity:
297
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
421.929g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
423.068g/mol
Monoisotopic Mass:
421.929g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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