AG003J52

55788-44-8 | 3-Bromopropanesulfonic acid sodium salt

AG003J52

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CAS Number	55788-44-8
Catalog Number	AG003J52(AGN-PC-0SJLPM)
Chemical Name	3-Bromopropanesulfonic acid sodium salt
IUPAC Name	sodium;3-bromopropane-1-sulfonate
InChI	InChI=1S/C3H7BrO3S.Na/c4-2-1-3-8(5,6)7;/h1-3H2,(H,5,6,7);/q;+1/p-1
InChI Key	LNZDAVYFINUYOH-UHFFFAOYSA-M
MDL Number	MFCD00024999
Molecular Formula	C3H6BrNaO3S
Molecular Weight	225.0367
SMILES	BrCCCS(=O)([O-])=O.[Na+]
Synonyms	Sodium 3-Bromopropanesulfonate, 55788-44-8, Sodium 3-bromopropane-1-sulfonate, 3-Bromopropanesulfonic acid sodium salt, MFCD00024999, ACMC-209lpd, SCHEMBL1037225, CTK8B1906, DTXSID30635546, LNZDAVYFINUYOH-UHFFFAOYSA-M, sodium 3-bromo-1-propanesulfonate, sodium,3-bromopropane-1-sulfonate, ANW-32399, Sodium 3-bromo-propane-1-sulphonate, AKOS025295467, 3-bromopropane sulfonic acid sodium salt, CC-34455, SC-54086, 3-Bromo-1-propanesulfonic acid sodium salt, TC-121144, FT-0640338, 1-Propanesulfonic acid, 3-bromo-, sodium salt, C-12725, I14-93463, SODIUM3-BROMOPROPANESULFONATE, B1707,

Complexity	138
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	223.912g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	225.032g/mol
Monoisotopic Mass	223.912g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	65.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number