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sodium 1,2-benzoxazol-3-ylmethanesulfonate

sodium 1,2-benzoxazol-3-ylmethanesulfonate

CAS: 73101-64-1

Formula: C8H6NNaO4S

SMILES: [Na+].[O-]S(=O)(=O)CC1=NOC2=CC=CC=C12

IUPAC: sodium (1,2-benzoxazol-3-yl)methanesulfonate

InChI: InChI=1S/C8H7NO4S.Na/c10-14(11,12)5-7-6-3-1-2-4-8(6)13-9-7;/h1-4H,5H2,(H,10,11,12);/q;+1/p-1

Composition: C (40.86%), H (2.57%), N (5.96%), Na (9.78%), O (27.21%), S (13.63%)

Molar Mass: 235.19

Atom Count: 21

Heavy Atom Count: 15

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 234.99152313
Formal Charge 0
FSP3 0.12
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 0
InChIKey QILCHBOPDIODSB-UHFFFAOYSA-M
Lipinski's Rule of Five 1
Molar Refractivity 47.64
Topological Polar Surface Area 83.23
Polarizability 20.23
Ring Count 2
Rotatable Bond Count 2

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95% <7 Days 73101-64-1 $6.21-$334.31$6.21$11.39$18.63$334.31
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