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2106-18-5 | Benzene, 1-fluoro-2-(trifluoromethoxy)-
CAS No: 2106-18-5 Catalog No: AG002KWB MDL No:MFCD00236322
Product Description
Catalog Number:
AG002KWB
Chemical Name:
Benzene, 1-fluoro-2-(trifluoromethoxy)-
CAS Number:
2106-18-5
Molecular Formula:
C7H4F4O
Molecular Weight:
180.0997
MDL Number:
MFCD00236322
IUPAC Name:
1-fluoro-2-(trifluoromethoxy)benzene
InChI:
InChI=1S/C7H4F4O/c8-5-3-1-2-4-6(5)12-7(9,10)11/h1-4H
InChI Key:
UKRYEFFTFFRSPY-UHFFFAOYSA-N
SMILES:
Fc1ccccc1OC(F)(F)F
Properties
Complexity:
145
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.02g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
180.102g/mol
Monoisotopic Mass:
180.02g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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