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

3-[(2,2,2-trifluoroethoxy)methyl]aniline

CAS No.:
117401-68-0
Catalog Number:
AG01A9I2
Molecular Formula:
C9H10F3NO
Molecular Weight:
205.1770
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Product Description
Catalog Number:
AG01A9I2
Chemical Name:
3-[(2,2,2-trifluoroethoxy)methyl]aniline
CAS Number:
117401-68-0
Molecular Formula:
C9H10F3NO
Molecular Weight:
205.1770
MDL Number:
MFCD09811898
IUPAC Name:
3-(2,2,2-trifluoroethoxymethyl)aniline
InChI:
InChI=1S/C9H10F3NO/c10-9(11,12)6-14-5-7-2-1-3-8(13)4-7/h1-4H,5-6,13H2
InChI Key:
IQNICUMDZICMBN-UHFFFAOYSA-N
SMILES:
Nc1cccc(c1)COCC(F)(F)F
Properties
Complexity:
172  
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:
3  
Topological Polar Surface Area:
35.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Properties