Home Nitros 1,1,1-trifluoro-2-(4-nitrophenyl)propan-2-ol

1,1,1-trifluoro-2-(4-nitrophenyl)propan-2-ol

CAS No.:
851651-94-0
Catalog Number:
AG019U23
Molecular Formula:
C9H8F3NO3
Molecular Weight:
235.1599
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Product Description
Catalog Number:
AG019U23
Chemical Name:
1,1,1-trifluoro-2-(4-nitrophenyl)propan-2-ol
CAS Number:
851651-94-0
Molecular Formula:
C9H8F3NO3
Molecular Weight:
235.1599
MDL Number:
MFCD16068013
IUPAC Name:
1,1,1-trifluoro-2-(4-nitrophenyl)propan-2-ol
InChI:
InChI=1S/C9H8F3NO3/c1-8(14,9(10,11)12)6-2-4-7(5-3-6)13(15)16/h2-5,14H,1H3
InChI Key:
VUESJESTGDDESM-UHFFFAOYSA-N
SMILES:
CC(C(F)(F)F)(c1ccc(cc1)[N+](=O)[O-])O
Properties
Complexity:
268  
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:
1  
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Properties