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Home > Fluorides > 132782-24-2
132782-24-2 | Benzene, 1-nitro-3-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-
CAS No: 132782-24-2 Catalog No: AG00115N MDL No:
Product Description
Catalog Number:
AG00115N
Chemical Name:
Benzene, 1-nitro-3-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-
CAS Number:
132782-24-2
Molecular Formula:
C12H4F13NO2
Molecular Weight:
441.1449
IUPAC Name:
1-nitro-3-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)benzene
InChI:
InChI=1S/C12H4F13NO2/c13-7(14,5-2-1-3-6(4-5)26(27)28)8(15,16)9(17,18)10(19,20)11(21,22)12(23,24)25/h1-4H
InChI Key:
CIBDFLBSRSAZHJ-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cccc(c1)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
Properties
Complexity:
595
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
441.003g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
15
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
441.148g/mol
Monoisotopic Mass:
441.003g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6
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