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918339-66-9

918339-66-9 | 1H-Pyrazole, 4-bromo-5-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]-

CAS No: 918339-66-9 Catalog No: AG006GAJ MDL No:

Product Description

Catalog Number:
AG006GAJ
Chemical Name:
1H-Pyrazole, 4-bromo-5-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]-
CAS Number:
918339-66-9
Molecular Formula:
C11H5BrF6N2
Molecular Weight:
359.0652
IUPAC Name:
4-bromo-5-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]pyrazole
InChI:
InChI=1S/C11H5BrF6N2/c12-8-5-19-20(9(8)11(16,17)18)7-3-1-2-6(4-7)10(13,14)15/h1-5H
InChI Key:
GNRXFEGUIYLIOB-UHFFFAOYSA-N
SMILES:
Brc1cnn(c1C(F)(F)F)c1cccc(c1)C(F)(F)F

Properties

Complexity:
345  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
357.954g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
359.069g/mol
Monoisotopic Mass:
357.954g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
17.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4  

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