Home Halogens Phenol,4,4'-(2,2-dioxido-3H-1,2-benzoxathiol-3-ylidene)bis[2,6-dibromo-,monosodium salt

Phenol,4,4'-(2,2-dioxido-3H-1,2-benzoxathiol-3-ylidene)bis[2,6-dibromo-,monosodium salt

CAS No.:
62625-28-9
Catalog Number:
AG01DQ8H
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG01DQ8H
Chemical Name:
Phenol,4,4'-(2,2-dioxido-3H-1,2-benzoxathiol-3-ylidene)bis[2,6-dibromo-,monosodium salt
CAS Number:
62625-28-9
MDL Number:
MFCD00013793
IUPAC Name:
sodium;2-[(3,5-dibromo-4-hydroxyphenyl)-(3,5-dibromo-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]benzenesulfonate
InChI:
InChI=1S/C19H10Br4O5S.Na/c20-12-5-9(6-13(21)18(12)24)17(10-7-14(22)19(25)15(23)8-10)11-3-1-2-4-16(11)29(26,27)28;/h1-8,24H,(H,26,27,28);/q;+1/p-1
InChI Key:
TWKDJMRHSLWRFI-UHFFFAOYSA-M
EC Number:
263-653-2
Properties
Complexity:
844  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
691.676g/mol
Formal Charge:
0
Heavy Atom Count:
30  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
691.942g/mol
Monoisotopic Mass:
687.68g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
103A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties