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(5-(trifluoromethyl)isoxazol-3-yl)methanamine

CAS No.:
1364678-08-9
Catalog Number:
AG009J1E
Molecular Formula:
C5H5F3N2O
Molecular Weight:
166.1012
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Product Description
Catalog Number:
AG009J1E
Chemical Name:
(5-(trifluoromethyl)isoxazol-3-yl)methanamine
CAS Number:
1364678-08-9
Molecular Formula:
C5H5F3N2O
Molecular Weight:
166.1012
MDL Number:
MFCD23161373
IUPAC Name:
[5-(trifluoromethyl)-1,2-oxazol-3-yl]methanamine
InChI:
InChI=1S/C5H5F3N2O/c6-5(7,8)4-1-3(2-9)10-11-4/h1H,2,9H2
InChI Key:
NXNMFIMTQQLGMC-UHFFFAOYSA-N
SMILES:
NCc1noc(c1)C(F)(F)F
Properties
Complexity:
138  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.035g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
166.103g/mol
Monoisotopic Mass:
166.035g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
52A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2  
Properties