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23379-34-2 | Benzenesulfonyl fluoride, 3,5-dichloro-4-[(4-nitrobenzoyl)oxy]-
CAS No: 23379-34-2 Catalog No: AG002N0V MDL No:
Product Description
Catalog Number:
AG002N0V
Chemical Name:
Benzenesulfonyl fluoride, 3,5-dichloro-4-[(4-nitrobenzoyl)oxy]-
CAS Number:
23379-34-2
Molecular Formula:
C13H6Cl2FNO6S
Molecular Weight:
394.1592
IUPAC Name:
(2,6-dichloro-4-fluorosulfonylphenyl) 4-nitrobenzoate
InChI:
InChI=1S/C13H6Cl2FNO6S/c14-10-5-9(24(16,21)22)6-11(15)12(10)23-13(18)7-1-3-8(4-2-7)17(19)20/h1-6H
InChI Key:
MTGMKFFUWHQEBU-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(cc1)[N+](=O)[O-])Oc1c(Cl)cc(cc1Cl)S(=O)(=O)F
NSC Number:
202680
Properties
Complexity:
572
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
392.928g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
394.15g/mol
Monoisotopic Mass:
392.928g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
115A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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