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784-57-6 | 2-Morpholino-5-(trifluoromethyl)aniline
CAS No: 784-57-6 Catalog No: AG003EXB MDL No:MFCD00042160
Product Description
Catalog Number:
AG003EXB
Chemical Name:
2-Morpholino-5-(trifluoromethyl)aniline
CAS Number:
784-57-6
Molecular Formula:
C11H13F3N2O
Molecular Weight:
246.2289
MDL Number:
MFCD00042160
IUPAC Name:
2-morpholin-4-yl-5-(trifluoromethyl)aniline
InChI:
InChI=1S/C11H13F3N2O/c12-11(13,14)8-1-2-10(9(15)7-8)16-3-5-17-6-4-16/h1-2,7H,3-6,15H2
InChI Key:
CNVOJNRNRNAOOP-UHFFFAOYSA-N
SMILES:
Nc1cc(ccc1N1CCOCC1)C(F)(F)F
Properties
Complexity:
254
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.098g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
246.233g/mol
Monoisotopic Mass:
246.098g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
38.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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