Home Other Building Blocks 3-methyl-4-(2,2,2-trifluoroethoxy)aniline

3-methyl-4-(2,2,2-trifluoroethoxy)aniline

CAS No.:
1094646-56-6
Catalog Number:
AG01AJS4
Molecular Formula:
C9H10F3NO
Molecular Weight:
205.1770
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Product Description
Catalog Number:
AG01AJS4
Chemical Name:
3-methyl-4-(2,2,2-trifluoroethoxy)aniline
CAS Number:
1094646-56-6
Molecular Formula:
C9H10F3NO
Molecular Weight:
205.1770
MDL Number:
MFCD11214142
IUPAC Name:
3-methyl-4-(2,2,2-trifluoroethoxy)aniline
InChI:
InChI=1S/C9H10F3NO/c1-6-4-7(13)2-3-8(6)14-5-9(10,11)12/h2-4H,5,13H2,1H3
InChI Key:
HPQBTNDTWKOCSA-UHFFFAOYSA-N
SMILES:
Nc1ccc(c(c1)C)OCC(F)(F)F
Properties
Complexity:
183  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.071g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
205.18g/mol
Monoisotopic Mass:
205.071g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
35.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  
Properties