Home Other Building Blocks Ths-044

Ths-044

CAS No.:
62054-67-5
Catalog Number:
AG00ECFR
Molecular Formula:
C11H12F3N3O3
Molecular Weight:
291.2265
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1mg
99%
1 week
United States
$335
- +
5mg
99%
1 week
United States
$640
- +
10mg
99%
1 week
United States
$890
- +
Product Description
Catalog Number:
AG00ECFR
Chemical Name:
Ths-044
CAS Number:
62054-67-5
Molecular Formula:
C11H12F3N3O3
Molecular Weight:
291.2265
MDL Number:
MFCD29472287
IUPAC Name:
N-[2-nitro-4-(trifluoromethyl)phenyl]morpholin-4-amine
InChI:
InChI=1S/C11H12F3N3O3/c12-11(13,14)8-1-2-9(10(7-8)17(18)19)15-16-3-5-20-6-4-16/h1-2,7,15H,3-6H2
InChI Key:
XUPDNGHJBHPAKD-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(ccc1NN1CCOCC1)C(F)(F)F
Properties
Complexity:
342  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
291.083g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
291.23g/mol
Monoisotopic Mass:
291.083g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
70.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3  
Properties