Sodium 4-(1H-tetrazol-1-yl)benzenesulfonate - CAS 205383-46-6
Catalog: |
BB045370 |
Product Name: |
Sodium 4-(1H-tetrazol-1-yl)benzenesulfonate |
CAS: |
205383-46-6 |
Synonyms: |
4-(1H-Tetrazol-1-yl)benzenesulfonic acid, sodium salt |
IUPAC Name: | sodium;4-(tetrazol-1-yl)benzenesulfonate |
Description: | Sodium 4-(1H-tetrazol-1-yl)benzenesulfonate (CAS# 205383-46-6 ) is a useful research chemical. |
Molecular Weight: | 248.20 |
Molecular Formula: | C7H5N4NaO3S |
Canonical SMILES: | C1=CC(=CC=C1N2C=NN=N2)S(=O)(=O)[O-].[Na+] |
InChI: | InChI=1S/C7H6N4O3S.Na/c12-15(13,14)7-3-1-6(2-4-7)11-5-8-9-10-11;/h1-5H,(H,12,13,14);/q;+1/p-1 |
InChI Key: | DKOXJDRKDLHQOZ-UHFFFAOYSA-M |
Complexity: | 312 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 247.99800549 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 247.99800549 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 109 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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