Home Nitros 1,1,1-trifluoro-3-nitro-2-phenylpropan-2-ol

1,1,1-trifluoro-3-nitro-2-phenylpropan-2-ol

CAS No.:
82945-27-5
Catalog Number:
AG01AFJN
Molecular Formula:
C9H8F3NO3
Molecular Weight:
235.1599
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Product Description
Catalog Number:
AG01AFJN
Chemical Name:
1,1,1-trifluoro-3-nitro-2-phenylpropan-2-ol
CAS Number:
82945-27-5
Molecular Formula:
C9H8F3NO3
Molecular Weight:
235.1599
MDL Number:
MFCD27980643
IUPAC Name:
1,1,1-trifluoro-3-nitro-2-phenylpropan-2-ol
InChI:
InChI=1S/C9H8F3NO3/c10-9(11,12)8(14,6-13(15)16)7-4-2-1-3-5-7/h1-5,14H,6H2
InChI Key:
CEYAQLFOMNYIRE-UHFFFAOYSA-N
SMILES:
OC(C(F)(F)F)(c1ccccc1)C[N+](=O)[O-]
Properties
Complexity:
258  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.046g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
235.162g/mol
Monoisotopic Mass:
235.046g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Properties