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1261753-93-8

1261753-93-8 | Phenol, 4-nitro-2-(trifluoromethoxy)-

CAS No: 1261753-93-8 Catalog No: AG000RZV MDL No:MFCD18399925

Product Description

Catalog Number:
AG000RZV
Chemical Name:
Phenol, 4-nitro-2-(trifluoromethoxy)-
CAS Number:
1261753-93-8
Molecular Formula:
C7H4F3NO4
Molecular Weight:
223.1062
MDL Number:
MFCD18399925
IUPAC Name:
4-nitro-2-(trifluoromethoxy)phenol
InChI:
InChI=1S/C7H4F3NO4/c8-7(9,10)15-6-3-4(11(13)14)1-2-5(6)12/h1-3,12H
InChI Key:
KNEILGXGOBNKRE-UHFFFAOYSA-N
SMILES:
Oc1ccc(cc1OC(F)(F)F)[N+](=O)[O-]

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:
3.2  

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