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124170-06-5

124170-06-5 | Benzene, 1-fluoro-2-nitro-4-(trifluoromethoxy)-

CAS No: 124170-06-5 Catalog No: AG000LMF MDL No:MFCD00042300

Product Description

Catalog Number:
AG000LMF
Chemical Name:
Benzene, 1-fluoro-2-nitro-4-(trifluoromethoxy)-
CAS Number:
124170-06-5
Molecular Formula:
C7H3F4NO3
Molecular Weight:
225.0972
MDL Number:
MFCD00042300
IUPAC Name:
1-fluoro-2-nitro-4-(trifluoromethoxy)benzene
InChI:
InChI=1S/C7H3F4NO3/c8-5-2-1-4(15-7(9,10)11)3-6(5)12(13)14/h1-3H
InChI Key:
XWFNBCCMBGKMFB-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(ccc1F)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:
225.005g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
225.099g/mol
Monoisotopic Mass:
225.005g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  

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