Home Halogens 4-[4-bromo-3-(trifluoromethyl)-1H-pyrazol-1-yl]aniline

4-[4-bromo-3-(trifluoromethyl)-1H-pyrazol-1-yl]aniline

CAS No.:
2044722-54-3
Catalog Number:
AG01BXQ0
Molecular Formula:
C10H7BrF3N3
Molecular Weight:
306.0819
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Product Description
Catalog Number:
AG01BXQ0
Chemical Name:
4-[4-bromo-3-(trifluoromethyl)-1H-pyrazol-1-yl]aniline
CAS Number:
2044722-54-3
Molecular Formula:
C10H7BrF3N3
Molecular Weight:
306.0819
MDL Number:
MFCD30486556
IUPAC Name:
4-[4-bromo-3-(trifluoromethyl)pyrazol-1-yl]aniline
InChI:
InChI=1S/C10H7BrF3N3/c11-8-5-17(16-9(8)10(12,13)14)7-3-1-6(15)2-4-7/h1-5H,15H2
InChI Key:
WCNBVXPVFSDCKC-UHFFFAOYSA-N
SMILES:
Nc1ccc(cc1)n1cc(c(n1)C(F)(F)F)Br
Properties
Complexity:
266  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
304.978g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
306.086g/mol
Monoisotopic Mass:
304.978g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
43.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  
Properties