Home Other Building Blocks [4-(tert-butoxy)-2-(trifluoromethyl)phenyl]methanamine

[4-(tert-butoxy)-2-(trifluoromethyl)phenyl]methanamine

CAS No.:
1094335-43-9
Catalog Number:
AG019SRO
Molecular Formula:
C12H16F3NO
Molecular Weight:
247.2567
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Product Description
Catalog Number:
AG019SRO
Chemical Name:
[4-(tert-butoxy)-2-(trifluoromethyl)phenyl]methanamine
CAS Number:
1094335-43-9
Molecular Formula:
C12H16F3NO
Molecular Weight:
247.2567
MDL Number:
MFCD11178523
IUPAC Name:
[4-[(2-methylpropan-2-yl)oxy]-2-(trifluoromethyl)phenyl]methanamine
InChI:
InChI=1S/C12H16F3NO/c1-11(2,3)17-9-5-4-8(7-16)10(6-9)12(13,14)15/h4-6H,7,16H2,1-3H3
InChI Key:
LJMNWNQABBSGBI-UHFFFAOYSA-N
SMILES:
NCc1ccc(cc1C(F)(F)F)OC(C)(C)C
Properties
Complexity:
247  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.118g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
247.261g/mol
Monoisotopic Mass:
247.118g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
35.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Properties