AG0020UV

175278-64-5 | Sodium 4-bromobenzenesulfinate, dihydrate

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CAS Number	175278-64-5
Catalog Number	AG0020UV(AGN-PC-0QAQIR)
Chemical Name	Sodium 4-bromobenzenesulfinate, dihydrate
IUPAC Name	sodium;4-bromobenzenesulfinate;dihydrate
InChI	InChI=1S/C6H5BrO2S.Na.2H2O/c7-5-1-3-6(4-2-5)10(8)9;;;/h1-4H,(H,8,9);;2*1H2/q;+1;;/p-1
InChI Key	SEHRIJWUZPAQNR-UHFFFAOYSA-M
MDL Number	MFCD00210139
Molecular Formula	C6H8BrNaO4S
Molecular Weight	279.0841
SMILES	O=S(C1=CC=C(Br)C=C1)[O-].[H]O[H].[H]O[H].[Na+]
Synonyms	175278-64-5, Sodium 4-bromobenzenesulfinate Dihydrate, 4-BROMOBENZENESULFINIC ACID SODIUM SALT DIHYDRATE, MFCD00210139, Sodium 4-bromobenzenesulfinate, dihydrate, Sodium 4-bromobenzene-1-sulphinate dihydrate, ACMC-209e9v, C6H4BrO2S.Na.2H2O, CTK5I7700, DTXSID60635594, SEHRIJWUZPAQNR-UHFFFAOYSA-M, ZX-AT005396, ANW-22769, AKOS016009940, sodium 4-bromophenylsulfinate dihydrate, OR29700, VZ28584, ACM175278645, sodium 4-bromanylbenzenesulfinate dihydrate, AX8003222, RT-015739, FT-0643701, V3821, 4-Bromobenzenesulfonic acid sodium salt 2-hydrate, A812068, Sodium 4-bromobenzene-1-sulfinate--water (1/1/2), Benzenesulfinic acid, 4-bromo-, sodium salt, hydrate (1:1:2), ACN-041716, CID2799409, 4-Bromobenzenesulfinic acid sodium salt dihydrate, 97% 1g,

Complexity	137
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	4
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	277.922g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	279.08g/mol
Monoisotopic Mass	277.922g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	61.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H315-H319-H335
Precuationary statements	P261-P305+P351+P338
Siginal words

Certificate of Analysis

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