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832725-97-0 | Benzenesulfonic acid, 2,5-dibromo-4-fluoro-, phenyl ester
CAS No: 832725-97-0 Catalog No: AG004XWO MDL No:
Product Description
Catalog Number:
AG004XWO
Chemical Name:
Benzenesulfonic acid, 2,5-dibromo-4-fluoro-, phenyl ester
CAS Number:
832725-97-0
Molecular Formula:
C12H7Br2FO3S
Molecular Weight:
410.0536
IUPAC Name:
phenyl 2,5-dibromo-4-fluorobenzenesulfonate
InChI:
InChI=1S/C12H7Br2FO3S/c13-9-7-12(10(14)6-11(9)15)19(16,17)18-8-4-2-1-3-5-8/h1-7H
InChI Key:
WSHYPWIBYUCMJD-UHFFFAOYSA-N
SMILES:
Brc1cc(F)c(cc1S(=O)(=O)Oc1ccccc1)Br
Properties
Complexity:
392
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
409.845g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
410.051g/mol
Monoisotopic Mass:
407.847g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
51.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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