Home Aminos 1-amino-3-[3-(trifluoromethyl)phenoxy]propan-2-ol

1-amino-3-[3-(trifluoromethyl)phenoxy]propan-2-ol

CAS No.:
4698-90-2
Catalog Number:
AG019XGS
Molecular Formula:
C10H12F3NO2
Molecular Weight:
235.2030
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Product Description
Catalog Number:
AG019XGS
Chemical Name:
1-amino-3-[3-(trifluoromethyl)phenoxy]propan-2-ol
CAS Number:
4698-90-2
Molecular Formula:
C10H12F3NO2
Molecular Weight:
235.2030
MDL Number:
MFCD11131172
IUPAC Name:
1-amino-3-[3-(trifluoromethyl)phenoxy]propan-2-ol
InChI:
InChI=1S/C10H12F3NO2/c11-10(12,13)7-2-1-3-9(4-7)16-6-8(15)5-14/h1-4,8,15H,5-6,14H2
InChI Key:
QBOZYQWTVVSEFZ-UHFFFAOYSA-N
SMILES:
NCC(COc1cccc(c1)C(F)(F)F)O
Properties
Complexity:
211  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.082g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
235.206g/mol
Monoisotopic Mass:
235.082g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
55.5A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Properties