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Home > Fluorides > 1261445-46-8
1261445-46-8 | Phenol, 2-nitro-6-(trifluoromethoxy)-
CAS No: 1261445-46-8 Catalog No: AG000RRF MDL No:MFCD18399922
Product Description
Catalog Number:
AG000RRF
Chemical Name:
Phenol, 2-nitro-6-(trifluoromethoxy)-
CAS Number:
1261445-46-8
Molecular Formula:
C7H4F3NO4
Molecular Weight:
223.1062
MDL Number:
MFCD18399922
IUPAC Name:
2-nitro-6-(trifluoromethoxy)phenol
InChI:
InChI=1S/C7H4F3NO4/c8-7(9,10)15-5-3-1-2-4(6(5)12)11(13)14/h1-3,12H
InChI Key:
UVLZLZHRZNVVGL-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cccc(c1O)OC(F)(F)F
Properties
Complexity:
239
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.009g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
223.107g/mol
Monoisotopic Mass:
223.009g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
75.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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