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23453-97-6 | Benzenesulfonic acid, 4-bromo-, 2,5-dichlorophenyl ester
CAS No: 23453-97-6 Catalog No: AG002NAF MDL No:
Product Description
Catalog Number:
AG002NAF
Chemical Name:
Benzenesulfonic acid, 4-bromo-, 2,5-dichlorophenyl ester
CAS Number:
23453-97-6
Molecular Formula:
C12H7BrCl2O3S
Molecular Weight:
382.0572
IUPAC Name:
(2,5-dichlorophenyl) 4-bromobenzenesulfonate
InChI:
InChI=1S/C12H7BrCl2O3S/c13-8-1-4-10(5-2-8)19(16,17)18-12-7-9(14)3-6-11(12)15/h1-7H
InChI Key:
KAEMTPMTGFUPAZ-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)S(=O)(=O)Oc1cc(Cl)ccc1Cl
Properties
Complexity:
390
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
379.868g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
382.049g/mol
Monoisotopic Mass:
379.868g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
51.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5
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