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Baw2881

CAS No.:
861875-60-7
Catalog Number:
AG00GUBF
Molecular Formula:
C22H15F3N4O2
Molecular Weight:
424.3753
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1mg
≥98%
1 week
United States
$105
- +
2mg
98%
1 week
United States
$126
- +
5mg
98%
1 week
United States
$168
- +
10mg
98%
1 week
United States
$251
- +
25mg
98%
1 week
United States
$432
- +
50mg
98%
1 week
United States
$668
- +
100mg
98%
1 week
United States
$946
- +
Product Description
Catalog Number:
AG00GUBF
Chemical Name:
Baw2881
CAS Number:
861875-60-7
Molecular Formula:
C22H15F3N4O2
Molecular Weight:
424.3753
MDL Number:
MFCD30343850
IUPAC Name:
6-(2-aminopyrimidin-4-yl)oxy-N-[3-(trifluoromethyl)phenyl]naphthalene-1-carboxamide
InChI:
InChI=1S/C22H15F3N4O2/c23-22(24,25)14-4-2-5-15(12-14)28-20(30)18-6-1-3-13-11-16(7-8-17(13)18)31-19-9-10-27-21(26)29-19/h1-12H,(H,28,30)(H2,26,27,29)
InChI Key:
MLLQJNIKDWEEFT-UHFFFAOYSA-N
SMILES:
Nc1nccc(n1)Oc1ccc2c(c1)cccc2C(=O)Nc1cccc(c1)C(F)(F)F
Properties
Complexity:
620  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
424.115g/mol
Formal Charge:
0
Heavy Atom Count:
31  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
424.383g/mol
Monoisotopic Mass:
424.115g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
90.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7  
Literature
Title Journal
A new hydrolysis procedure for preparation of orange juice for trace element analysis by atomic absorption spectrometry. Journal of agricultural and food chemistry 19760101
Properties