Home Nitros 2-[4-nitro-3-(trifluoromethyl)phenoxy]ethan-1-ol

2-[4-nitro-3-(trifluoromethyl)phenoxy]ethan-1-ol

CAS No.:
873453-82-8
Catalog Number:
AG019X2W
Molecular Formula:
C9H8F3NO4
Molecular Weight:
251.1593
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Product Description
Catalog Number:
AG019X2W
Chemical Name:
2-[4-nitro-3-(trifluoromethyl)phenoxy]ethan-1-ol
CAS Number:
873453-82-8
Molecular Formula:
C9H8F3NO4
Molecular Weight:
251.1593
MDL Number:
MFCD13195957
IUPAC Name:
2-[4-nitro-3-(trifluoromethyl)phenoxy]ethanol
InChI:
InChI=1S/C9H8F3NO4/c10-9(11,12)7-5-6(17-4-3-14)1-2-8(7)13(15)16/h1-2,5,14H,3-4H2
InChI Key:
QFDJIYCXXRQKQS-UHFFFAOYSA-N
SMILES:
OCCOc1ccc(c(c1)C(F)(F)F)[N+](=O)[O-]
Properties
Complexity:
266  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.041g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
251.161g/mol
Monoisotopic Mass:
251.041g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
75.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Properties