Home Other Building Blocks 3-Methyl-4-(trifluoromethoxy)aniline

3-Methyl-4-(trifluoromethoxy)aniline

CAS No.:
183945-52-0
Catalog Number:
AG0039TJ
Molecular Formula:
C8H8F3NO
Molecular Weight:
191.1504
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Product Description
Catalog Number:
AG0039TJ
Chemical Name:
3-Methyl-4-(trifluoromethoxy)aniline
CAS Number:
183945-52-0
Molecular Formula:
C8H8F3NO
Molecular Weight:
191.1504
MDL Number:
MFCD18399693
IUPAC Name:
3-methyl-4-(trifluoromethoxy)aniline
InChI:
InChI=1S/C8H8F3NO/c1-5-4-6(12)2-3-7(5)13-8(9,10)11/h2-4H,12H2,1H3
InChI Key:
XUHCPLRDLVPBFX-UHFFFAOYSA-N
SMILES:
Nc1ccc(c(c1)C)OC(F)(F)F
Properties
Complexity:
171  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.056g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
191.153g/mol
Monoisotopic Mass:
191.056g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
35.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  
Properties