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141370-17-4 | Benzene, tetrafluoronitro- (9CI)
CAS No: 141370-17-4 Catalog No: AG001GC2 MDL No:
Product Description
Catalog Number:
AG001GC2
Chemical Name:
Benzene, tetrafluoronitro- (9CI)
CAS Number:
141370-17-4
Molecular Formula:
C6HF4NO2
Molecular Weight:
195.0713
IUPAC Name:
1,2,3,4-tetrafluoro-5-nitrobenzene
InChI:
InChI=1S/C6HF4NO2/c7-2-1-3(11(12)13)5(9)6(10)4(2)8/h1H
InChI Key:
MKMDVNZEIQDZEP-UHFFFAOYSA-N
SMILES:
Fc1cc([N+](=O)[O-])c(c(c1F)F)F
EC Number:
226-972-8
NSC Number:
96618
Properties
Complexity:
209
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.994g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
195.073g/mol
Monoisotopic Mass:
194.994g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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