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832726-30-4 | Benzenesulfonic acid, 2,5-dibromo-4-(bromomethyl)-, phenyl ester
CAS No: 832726-30-4 Catalog No: AG004XWL MDL No:
Product Description
Catalog Number:
AG004XWL
Chemical Name:
Benzenesulfonic acid, 2,5-dibromo-4-(bromomethyl)-, phenyl ester
CAS Number:
832726-30-4
Molecular Formula:
C13H9Br3O3S
Molecular Weight:
484.9858
IUPAC Name:
phenyl 2,5-dibromo-4-(bromomethyl)benzenesulfonate
InChI:
InChI=1S/C13H9Br3O3S/c14-8-9-6-12(16)13(7-11(9)15)20(17,18)19-10-4-2-1-3-5-10/h1-7H,8H2
InChI Key:
MYOAOAWZYBDVOI-UHFFFAOYSA-N
SMILES:
BrCc1cc(Br)c(cc1Br)S(=O)(=O)Oc1ccccc1
Properties
Complexity:
404
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
483.78g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
484.984g/mol
Monoisotopic Mass:
481.782g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
51.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5
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