sodium 4-chloro-1-hydroxybutane-1-sulfonate

sodium 4-chloro-1-hydroxybutane-1-sulfonate

CAS: 54322-20-2

Formula: C4H8ClNaO4S

SMILES: [Na+].OC(CCCCl)S([O-])(=O)=O

IUPAC: sodium 4-chloro-1-hydroxybutane-1-sulfonate

InChI: InChI=1/C4H9ClO4S.Na/c5-3-1-2-4(6)10(7,8)9;/h4,6H,1-3H2,(H,7,8,9);/q;+1/p-1

Composition: C (22.81%), H (3.83%), Cl (16.83%), Na (10.92%), O (30.39%), S (15.22%)

Molar Mass: 210.6

Atom Count: 19

Heavy Atom Count: 11

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	1
Exact Mass	209.9729519
Formal Charge	0
FSP3	1
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	LLLJQYKPVYUIGX-UHFFFAOYNA-M
Lipinski's Rule of Five	1
Molar Refractivity	35.87
Topological Polar Surface Area	77.43
Polarizability	15.35
Ring Count	0
Rotatable Bond Count	4

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