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230295-07-5

230295-07-5 | 1H-Pyrazole, 4-bromo-3-phenyl-5-(trifluoromethyl)-

CAS No: 230295-07-5 Catalog No: AG002LWQ MDL No:MFCD00153731

Product Description

Catalog Number:
AG002LWQ
Chemical Name:
1H-Pyrazole, 4-bromo-3-phenyl-5-(trifluoromethyl)-
CAS Number:
230295-07-5
Molecular Formula:
C10H6BrF3N2
Molecular Weight:
291.0672
MDL Number:
MFCD00153731
IUPAC Name:
4-bromo-3-phenyl-5-(trifluoromethyl)-1H-pyrazole
InChI:
InChI=1S/C10H6BrF3N2/c11-7-8(6-4-2-1-3-5-6)15-16-9(7)10(12,13)14/h1-5H,(H,15,16)
InChI Key:
OBKUMDOWKMRFPB-UHFFFAOYSA-N
SMILES:
Brc1c(n[nH]c1C(F)(F)F)c1ccccc1

Properties

Complexity:
241  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
289.967g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
291.071g/mol
Monoisotopic Mass:
289.967g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
28.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5  

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