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1644-21-9 | Benzene, 1-nitro-3-(1,1,2,2-tetrafluoroethoxy)-
CAS No: 1644-21-9 Catalog No: AG001UV9 MDL No:MFCD00042449
Product Description
Catalog Number:
AG001UV9
Chemical Name:
Benzene, 1-nitro-3-(1,1,2,2-tetrafluoroethoxy)-
CAS Number:
1644-21-9
Molecular Formula:
C8H5F4NO3
Molecular Weight:
239.1238
MDL Number:
MFCD00042449
IUPAC Name:
1-nitro-3-(1,1,2,2-tetrafluoroethoxy)benzene
InChI:
InChI=1S/C8H5F4NO3/c9-7(10)8(11,12)16-6-3-1-2-5(4-6)13(14)15/h1-4,7H
InChI Key:
NSXYRKKNVBEZDY-UHFFFAOYSA-N
SMILES:
FC(C(Oc1cccc(c1)[N+](=O)[O-])(F)F)F
EC Number:
216-704-8
Properties
Complexity:
256
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.021g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
239.126g/mol
Monoisotopic Mass:
239.021g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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