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1644-52-6 | Benzene, 1,1'-[(diazomethylene)bis(sulfonyl)]bis[2,4-difluoro- (9CI)
CAS No: 1644-52-6 Catalog No: AG001UV6 MDL No:
Product Description
Catalog Number:
AG001UV6
Chemical Name:
Benzene, 1,1'-[(diazomethylene)bis(sulfonyl)]bis[2,4-difluoro- (9CI)
CAS Number:
1644-52-6
Molecular Formula:
C13H6F4N2O4S2
Molecular Weight:
394.3214
IUPAC Name:
1-[diazo-(2,4-difluorophenyl)sulfonylmethyl]sulfonyl-2,4-difluorobenzene
InChI:
InChI=1S/C13H6F4N2O4S2/c14-7-1-3-11(9(16)5-7)24(20,21)13(19-18)25(22,23)12-4-2-8(15)6-10(12)17/h1-6H
InChI Key:
AHYSHUSCINLYDO-UHFFFAOYSA-N
SMILES:
[N-]=[N+]=C(S(=O)(=O)c1ccc(cc1F)F)S(=O)(=O)c1ccc(cc1F)F
Properties
Complexity:
698
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
393.971g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
394.315g/mol
Monoisotopic Mass:
393.971g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
87A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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