Home Other Building Blocks [2-(trifluoromethyl)-1,3-oxazol-4-yl]methanamine

[2-(trifluoromethyl)-1,3-oxazol-4-yl]methanamine

CAS No.:
1780694-01-0
Catalog Number:
AG01BI76
Molecular Formula:
C5H5F3N2O
Molecular Weight:
166.1012
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Product Description
Catalog Number:
AG01BI76
Chemical Name:
[2-(trifluoromethyl)-1,3-oxazol-4-yl]methanamine
CAS Number:
1780694-01-0
Molecular Formula:
C5H5F3N2O
Molecular Weight:
166.1012
MDL Number:
MFCD28517722
IUPAC Name:
[2-(trifluoromethyl)-1,3-oxazol-4-yl]methanamine
InChI:
InChI=1S/C5H5F3N2O/c6-5(7,8)4-10-3(1-9)2-11-4/h2H,1,9H2
InChI Key:
NCDGBPNIPDNTIN-UHFFFAOYSA-N
SMILES:
NCc1coc(n1)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